4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

C32H24Br2F2N4O2 — CID 160918189

IUPAC4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESNC(=O)c1cc2c(Br)cccc2n1Cc1cccc(F)c1.NC(=O)c1cc2c(Br)cccc2n1Cc1cccc(F)c1
InChIInChI=1S/2C16H12BrFN2O/c2*17-13-5-2-6-14-12(13)8-15(16(19)21)20(14)9-10-3-1-4-11(18)7-10/h2*1-8H,9H2,(H2,19,21)
InChIKeySRRJUJJZLJRXBF-UHFFFAOYSA-N
MW694.37 g/mol
LogP7.38
Rot. Bonds6

About 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (PubChem CID 160918189) has the molecular formula C32H24Br2F2N4O2 and a molecular weight of 694.37 g/mol. Its IUPAC name is 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
PubChem CID160918189
Molecular FormulaC32H24Br2F2N4O2
Molecular Weight694.37 g/mol
Exact Mass692.02
IUPAC Name4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESNC(=O)c1cc2c(Br)cccc2n1Cc1cccc(F)c1.NC(=O)c1cc2c(Br)cccc2n1Cc1cccc(F)c1
InChIInChI=1S/2C16H12BrFN2O/c2*17-13-5-2-6-14-12(13)8-15(16(19)21)20(14)9-10-3-1-4-11(18)7-10/h2*1-8H,9H2,(H2,19,21)
InChIKeySRRJUJJZLJRXBF-UHFFFAOYSA-N
XLogP7.38
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.37
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide
CID 24953069
1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride
CID 68588020
[4-[2-carbamoyl-1-[(3-fluorophenyl)methyl]indol-4-yl]piperidin-1-yl]-methylborinic acid
CID 59344916
4-ethoxy-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 42803250
9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
CID 174417549
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
ethyl 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate
CID 22311024
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxamide
CID 10946700
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
1-[(3-fluorophenyl)methyl]-3-methylindole-2-carboxamide;1-[(3-fluorophenyl)methyl]-6-(trifluoromethyl)indole-2-carboxylic acid
CID 158253261
1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide
CID 141316423

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The IUPAC name of 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (CID 160918189) is 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is NC(=O)c1cc2c(Br)cccc2n1Cc1cccc(F)c1.NC(=O)c1cc2c(Br)cccc2n1Cc1cccc(F)c1.
What is the InChIKey of 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The InChIKey is SRRJUJJZLJRXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12BrFN2O/c2*17-13-5-2-6-14-12(13)8-15(16(19)21)20(14)9-10-3-1-4-11(18)7-10/h2*1-8H,9H2,(H2,19,21).
What are the key properties of 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide has a molecular weight of 694.37 g/mol, XLogP of 7.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 160918189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).