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

C22H16F2N2O — CID 21014382

IUPAC5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H16F2N2O/c23-16-10-11-19-17(12-16)20(14-6-2-1-3-7-14)21(26-19)22(27)25-13-15-8-4-5-9-18(15)24/h1-12,26H,13H2,(H,25,27)
InChIKeyHJDNCTFHIOZEGF-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.04
Rot. Bonds4

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

5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 21014382) has the molecular formula C22H16F2N2O and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
PubChem CID21014382
Molecular FormulaC22H16F2N2O
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H16F2N2O/c23-16-10-11-19-17(12-16)20(14-6-2-1-3-7-14)21(26-19)22(27)25-13-15-8-4-5-9-18(15)24/h1-12,26H,13H2,(H,25,27)
InChIKeyHJDNCTFHIOZEGF-UHFFFAOYSA-N
XLogP5.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014528
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 50765509
5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
CID 58125938
5-fluoro-3-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014366
tert-butyl N-[[(1R,2R,3R)-3-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)amino]methyl]-2-hydroxycyclopentyl]methyl]carbamate
CID 175625984
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(2E)-2-ethenyl-4-(trifluoromethoxy)penta-2,4-dienyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 142237632
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205279

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide (CID 21014382) is 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide is O=C(NCc1ccccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is HJDNCTFHIOZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O/c23-16-10-11-19-17(12-16)20(14-6-2-1-3-7-14)21(26-19)22(27)25-13-15-8-4-5-9-18(15)24/h1-12,26H,13H2,(H,25,27).
What are the key properties of 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 21014382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).