N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide

C21H17BrN2O — CID 146022021

IUPACN-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)Nc3ccc4c(Br)cccc4c3)cccc2c1C
InChIInChI=1S/C21H17BrN2O/c1-12-13(2)23-20-16(12)6-4-7-18(20)21(25)24-15-9-10-17-14(11-15)5-3-8-19(17)22/h3-11,23H,1-2H3,(H,24,25)
InChIKeyVQDKCKSJOGUHSC-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.95
Rot. Bonds2

About N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide

N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 146022021) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID146022021
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC NameN-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)Nc3ccc4c(Br)cccc4c3)cccc2c1C
InChIInChI=1S/C21H17BrN2O/c1-12-13(2)23-20-16(12)6-4-7-18(20)21(25)24-15-9-10-17-14(11-15)5-3-8-19(17)22/h3-11,23H,1-2H3,(H,24,25)
InChIKeyVQDKCKSJOGUHSC-UHFFFAOYSA-N
XLogP5.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 146021959
2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
CID 32609242
1-(5-bromonaphthalen-2-yl)-3-methylurea
CID 146021922
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 35389393
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide
CID 78854409
N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 43060113
3-methyl-2-[[3-methyl-7-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1H-indol-2-yl]-phenylmethyl]-N-(1-methylquinolin-1-ium-3-yl)-1H-indole-7-carboxamide
CID 132991441
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide (CID 146022021) is N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)Nc3ccc4c(Br)cccc4c3)cccc2c1C.
What is the InChIKey of N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is VQDKCKSJOGUHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O/c1-12-13(2)23-20-16(12)6-4-7-18(20)21(25)24-15-9-10-17-14(11-15)5-3-8-19(17)22/h3-11,23H,1-2H3,(H,24,25).
What are the key properties of N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 393.28 g/mol, XLogP of 5.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 146022021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).