3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide

C18H14BrN5O — CID 49422928

IUPAC3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2)n[nH]1
InChIInChI=1S/C18H14BrN5O/c1-10-20-17(24-23-10)11-6-8-12(9-7-11)21-18(25)16-15(19)13-4-2-3-5-14(13)22-16/h2-9,22H,1H3,(H,21,25)(H,20,23,24)
InChIKeyFHPVHQRJVHZSRV-UHFFFAOYSA-N
MW396.25 g/mol
LogP4.28
Rot. Bonds3

About 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide

3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 49422928) has the molecular formula C18H14BrN5O and a molecular weight of 396.25 g/mol. Its IUPAC name is 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID49422928
Molecular FormulaC18H14BrN5O
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC Name3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2)n[nH]1
InChIInChI=1S/C18H14BrN5O/c1-10-20-17(24-23-10)11-6-8-12(9-7-11)21-18(25)16-15(19)13-4-2-3-5-14(13)22-16/h2-9,22H,1H3,(H,21,25)(H,20,23,24)
InChIKeyFHPVHQRJVHZSRV-UHFFFAOYSA-N
XLogP4.28
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
CID 112827860
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 47089420
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 49423447
ethyl (E)-3-[4-[(3-bromo-1H-indole-2-carbonyl)amino]phenyl]prop-2-enoate
CID 94136409
2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 49423848
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide
CID 56548127
3-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671011
1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131897060

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide (CID 49422928) is 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide is Cc1nc(-c2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2)n[nH]1.
What is the InChIKey of 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is FHPVHQRJVHZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O/c1-10-20-17(24-23-10)11-6-8-12(9-7-11)21-18(25)16-15(19)13-4-2-3-5-14(13)22-16/h2-9,22H,1H3,(H,21,25)(H,20,23,24).
What are the key properties of 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide?
3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 396.25 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 49422928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).