7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide

C16H14BrN3O — CID 63117429

IUPAC7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NCc3ccc(Br)cc3)[nH]c12
InChIInChI=1S/C16H14BrN3O/c17-12-6-4-10(5-7-12)9-19-16(21)14-8-11-2-1-3-13(18)15(11)20-14/h1-8,20H,9,18H2,(H,19,21)
InChIKeyQOMLFJMEKOEJMF-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.44
Rot. Bonds3

About 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide

7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 63117429) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID63117429
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NCc3ccc(Br)cc3)[nH]c12
InChIInChI=1S/C16H14BrN3O/c17-12-6-4-10(5-7-12)9-19-16(21)14-8-11-2-1-3-13(18)15(11)20-14/h1-8,20H,9,18H2,(H,19,21)
InChIKeyQOMLFJMEKOEJMF-UHFFFAOYSA-N
XLogP3.44
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide
CID 106840111
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
CID 63118046
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67551838
7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
CID 62058041

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide (CID 63117429) is 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)NCc3ccc(Br)cc3)[nH]c12.
What is the InChIKey of 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is QOMLFJMEKOEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-12-6-4-10(5-7-12)9-19-16(21)14-8-11-2-1-3-13(18)15(11)20-14/h1-8,20H,9,18H2,(H,19,21).
What are the key properties of 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63117429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).