N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide

C17H13BrF2N2O — CID 55580692

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H13BrF2N2O/c1-22(9-10-7-11(18)5-6-13(10)19)17(23)16-8-12-14(20)3-2-4-15(12)21-16/h2-8,21H,9H2,1H3
InChIKeyNZROLSXHGUAUST-UHFFFAOYSA-N
MW379.20 g/mol
LogP4.48
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 55580692) has the molecular formula C17H13BrF2N2O and a molecular weight of 379.20 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
PubChem CID55580692
Molecular FormulaC17H13BrF2N2O
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H13BrF2N2O/c1-22(9-10-7-11(18)5-6-13(10)19)17(23)16-8-12-14(20)3-2-4-15(12)21-16/h2-8,21H,9H2,1H3
InChIKeyNZROLSXHGUAUST-UHFFFAOYSA-N
XLogP4.48
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
CID 36704751
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 36711727
3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55596607
4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 55580589
4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide
CID 110852607
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
N-cyclopropyl-4-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 36746307
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 31936268
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
4-ethyl-N,N-dimethyl-1H-indole-2-carboxamide
CID 176933500

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide (CID 55580692) is N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide is CN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is NZROLSXHGUAUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O/c1-22(9-10-7-11(18)5-6-13(10)19)17(23)16-8-12-14(20)3-2-4-15(12)21-16/h2-8,21H,9H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55580692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).