7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide

C16H14BrN3O — CID 63117458

IUPAC7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H14BrN3O/c1-9-7-11(17)5-6-13(9)20-16(21)14-8-10-3-2-4-12(18)15(10)19-14/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyGEEXPSRJWIUSTI-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.07
Rot. Bonds2

About 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide

7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 63117458) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
PubChem CID63117458
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H14BrN3O/c1-9-7-11(17)5-6-13(9)20-16(21)14-8-10-3-2-4-12(18)15(10)19-14/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyGEEXPSRJWIUSTI-UHFFFAOYSA-N
XLogP4.07
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.07
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

7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67551838
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 63117500
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
CID 107594603
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 62058461

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide (CID 63117458) is 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is GEEXPSRJWIUSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-9-7-11(17)5-6-13(9)20-16(21)14-8-10-3-2-4-12(18)15(10)19-14/h2-8,19H,18H2,1H3,(H,20,21).
What are the key properties of 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide?
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).