4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide

C12H12BrFN2O2 — CID 167886372

IUPAC4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2c(Br)ccc(F)c2[nH]1
InChIInChI=1S/C12H12BrFN2O2/c1-6(5-17)15-12(18)10-4-7-8(13)2-3-9(14)11(7)16-10/h2-4,6,16-17H,5H2,1H3,(H,15,18)
InChIKeyMBYBYIJJLPHCQV-UHFFFAOYSA-N
MW315.14 g/mol
LogP2.18
Rot. Bonds3

About 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide

4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 167886372) has the molecular formula C12H12BrFN2O2 and a molecular weight of 315.14 g/mol. Its IUPAC name is 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
PubChem CID167886372
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC Name4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2c(Br)ccc(F)c2[nH]1
InChIInChI=1S/C12H12BrFN2O2/c1-6(5-17)15-12(18)10-4-7-8(13)2-3-9(14)11(7)16-10/h2-4,6,16-17H,5H2,1H3,(H,15,18)
InChIKeyMBYBYIJJLPHCQV-UHFFFAOYSA-N
XLogP2.18
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-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

5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
4-fluoro-N-(1-hydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107029570
2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78905509
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
2,4,6-trifluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 65100571
4-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 132842983
(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835870
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-3-nitrobenzamide
CID 79027938

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide (CID 167886372) is 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide is CC(CO)NC(=O)c1cc2c(Br)ccc(F)c2[nH]1.
What is the InChIKey of 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is MBYBYIJJLPHCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2/c1-6(5-17)15-12(18)10-4-7-8(13)2-3-9(14)11(7)16-10/h2-4,6,16-17H,5H2,1H3,(H,15,18).
What are the key properties of 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 315.14 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 167886372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).