3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide

C23H17F2N3O2 — CID 50765509

IUPAC3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1c(C(=O)NCc2ccccc2F)[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C23H17F2N3O2/c24-16-10-11-19-17(12-16)20(28-22(29)14-6-2-1-3-7-14)21(27-19)23(30)26-13-15-8-4-5-9-18(15)25/h1-12,27H,13H2,(H,26,30)(H,28,29)
InChIKeyUQOSPACPGVVSAD-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.63
Rot. Bonds5

About 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide

3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 50765509) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID50765509
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1c(C(=O)NCc2ccccc2F)[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C23H17F2N3O2/c24-16-10-11-19-17(12-16)20(28-22(29)14-6-2-1-3-7-14)21(27-19)23(30)26-13-15-8-4-5-9-18(15)25/h1-12,27H,13H2,(H,26,30)(H,28,29)
InChIKeyUQOSPACPGVVSAD-UHFFFAOYSA-N
XLogP4.63
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-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-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014382
N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014528
N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391848
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
CID 53367407
6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205279
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 67153947
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 46391849
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide (CID 50765509) is 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide is O=C(Nc1c(C(=O)NCc2ccccc2F)[nH]c2ccc(F)cc12)c1ccccc1.
What is the InChIKey of 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is UQOSPACPGVVSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-16-10-11-19-17(12-16)20(28-22(29)14-6-2-1-3-7-14)21(27-19)23(30)26-13-15-8-4-5-9-18(15)25/h1-12,27H,13H2,(H,26,30)(H,28,29).
What are the key properties of 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide?
3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 50765509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).