3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline

C73H81Br2N9O2 — CID 158530090

IUPAC3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline
SMILESCCN1CCCC1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc(NC(=O)C2CCCC2)c1.Cc1cccc(NC(=O)c2cccc(Br)c2)c1.Cc1cccc(NCc2cccc(Br)c2)c1.Cc1cccc2ncccc12
InChIInChI=1S/C14H12BrNO.C14H14BrN.C13H17NO.C10H9N.2C8H8N2.C6H13N/c1-10-4-2-7-13(8-10)16-14(17)11-5-3-6-12(15)9-11;1-11-4-2-7-14(8-11)16-10-12-5-3-6-13(15)9-12;1-10-5-4-8-12(9-10)14-13(15)11-6-2-3-7-11;1-8-4-2-6-10-9(8)5-3-7-11-10;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-2-7-5-3-4-6-7/h2-9H,1H3,(H,16,17);2-9,16H,10H2,1H3;4-5,8-9,11H,2-3,6-7H2,1H3,(H,14,15);2-7H,1H3;2*2-5H,1H3,(H,9,10);2-6H2,1H3
InChIKeyHNGJISNJUSUWCZ-UHFFFAOYSA-N
MW1276.32 g/mol
LogP18.89
Rot. Bonds8

About 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline

3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline (PubChem CID 158530090) has the molecular formula C73H81Br2N9O2 and a molecular weight of 1276.32 g/mol. Its IUPAC name is 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline.

Molecular Properties

Compound Name3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline
PubChem CID158530090
Molecular FormulaC73H81Br2N9O2
Molecular Weight1276.32 g/mol
Exact Mass1273.49
IUPAC Name3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline
SMILESCCN1CCCC1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc(NC(=O)C2CCCC2)c1.Cc1cccc(NC(=O)c2cccc(Br)c2)c1.Cc1cccc(NCc2cccc(Br)c2)c1.Cc1cccc2ncccc12
InChIInChI=1S/C14H12BrNO.C14H14BrN.C13H17NO.C10H9N.2C8H8N2.C6H13N/c1-10-4-2-7-13(8-10)16-14(17)11-5-3-6-12(15)9-11;1-11-4-2-7-14(8-11)16-10-12-5-3-6-13(15)9-12;1-10-5-4-8-12(9-10)14-13(15)11-6-2-3-7-11;1-8-4-2-6-10-9(8)5-3-7-11-10;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-2-7-5-3-4-6-7/h2-9H,1H3,(H,16,17);2-9,16H,10H2,1H3;4-5,8-9,11H,2-3,6-7H2,1H3,(H,14,15);2-7H,1H3;2*2-5H,1H3,(H,9,10);2-6H2,1H3
InChIKeyHNGJISNJUSUWCZ-UHFFFAOYSA-N
XLogP18.89
TPSA143.72 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.32
LogP ≤ 518.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-methyl-4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56676727
N-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-3-[[5-[[(E)-(3-bromo-4-fluorophenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]-(4-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 145961856
1-[3-(fluoromethyl)-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]phenyl]-9-(3-methyl-1H-indazol-5-yl)benzo[h][1,6]naphthyridin-2-one
CID 136417516
N-[3-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-5-methylphenyl]benzamide
CID 137034143
2-(8-Bromo-6-ethylquinolin-4-yl)-7-(indazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 175792456
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-[1-[6-methyl-3-[[[3-methyl-1-propan-2-yl-6-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]indole-4-carbonyl]amino]methyl]-2-oxo-1H-pyridin-4-yl]propan-2-yl]-6-(1H-pyrazol-4-yl)indole-4-carboxamide
CID 144276046
N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole
CID 144941096
4-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]benzamide
CID 155152147
5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine
CID 157074159
5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
CID 157394753
5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide;pyridin-3-ylboronic acid
CID 157470513
5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole
CID 157681427

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline?
The IUPAC name of 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline (CID 158530090) is 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline.
What is the SMILES notation for 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline?
The canonical SMILES for 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline is CCN1CCCC1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc(NC(=O)C2CCCC2)c1.Cc1cccc(NC(=O)c2cccc(Br)c2)c1.Cc1cccc(NCc2cccc(Br)c2)c1.Cc1cccc2ncccc12.
What is the InChIKey of 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline?
The InChIKey is HNGJISNJUSUWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO.C14H14BrN.C13H17NO.C10H9N.2C8H8N2.C6H13N/c1-10-4-2-7-13(8-10)16-14(17)11-5-3-6-12(15)9-11;1-11-4-2-7-14(8-11)16-10-12-5-3-6-13(15)9-12;1-10-5-4-8-12(9-10)14-13(15)11-6-2-3-7-11;1-8-4-2-6-10-9(8)5-3-7-11-10;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-2-7-5-3-4-6-7/h2-9H,1H3,(H,16,17);2-9,16H,10H2,1H3;4-5,8-9,11H,2-3,6-7H2,1H3,(H,14,15);2-7H,1H3;2*2-5H,1H3,(H,9,10);2-6H2,1H3.
What are the key properties of 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline?
3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline has a molecular weight of 1276.32 g/mol, XLogP of 18.89, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline is sourced from PubChem (CID 158530090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).