N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide

C22H16ClFN2O — CID 21014526

IUPACN-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H16ClFN2O/c23-16-8-6-14(7-9-16)13-25-22(27)21-20(15-4-2-1-3-5-15)18-12-17(24)10-11-19(18)26-21/h1-12,26H,13H2,(H,25,27)
InChIKeyNJTZZXLTSUIFOF-UHFFFAOYSA-N
MW378.83 g/mol
LogP5.56
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 21014526) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
PubChem CID21014526
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC NameN-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H16ClFN2O/c23-16-8-6-14(7-9-16)13-25-22(27)21-20(15-4-2-1-3-5-15)18-12-17(24)10-11-19(18)26-21/h1-12,26H,13H2,(H,25,27)
InChIKeyNJTZZXLTSUIFOF-UHFFFAOYSA-N
XLogP5.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-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-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
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
5-fluoro-3-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014366
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
CID 58125938
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 45029379
[2-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126399004
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone
CID 143602127
N-[[(3aR,6R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2]oxazol-6-yl]methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 175625980
[2-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402627

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide (CID 21014526) is N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is NJTZZXLTSUIFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O/c23-16-8-6-14(7-9-16)13-25-22(27)21-20(15-4-2-1-3-5-15)18-12-17(24)10-11-19(18)26-21/h1-12,26H,13H2,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 378.83 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 21014526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).