5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide

C16H14BrN3O — CID 107581689

IUPAC5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cc3cc(N)ccc3[nH]2)c1
InChIInChI=1S/C16H14BrN3O/c1-9-4-11(17)8-13(5-9)19-16(21)15-7-10-6-12(18)2-3-14(10)20-15/h2-8,20H,18H2,1H3,(H,19,21)
InChIKeyBBLRHPPBLNVCKN-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.07
Rot. Bonds2

About 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide

5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 107581689) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
PubChem CID107581689
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cc3cc(N)ccc3[nH]2)c1
InChIInChI=1S/C16H14BrN3O/c1-9-4-11(17)8-13(5-9)19-16(21)15-7-10-6-12(18)2-3-14(10)20-15/h2-8,20H,18H2,1H3,(H,19,21)
InChIKeyBBLRHPPBLNVCKN-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

5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
5-amino-N-(2,4-dibromophenyl)-1H-indole-2-carboxamide
CID 63118416
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79735742
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 63117740
N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 65486031

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide (CID 107581689) is 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide is Cc1cc(Br)cc(NC(=O)c2cc3cc(N)ccc3[nH]2)c1.
What is the InChIKey of 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is BBLRHPPBLNVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-9-4-11(17)8-13(5-9)19-16(21)15-7-10-6-12(18)2-3-14(10)20-15/h2-8,20H,18H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide?
5-amino-N-(3-bromo-5-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 5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 107581689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).