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

C22H16F2N2O — CID 21014400

IUPAC5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H16F2N2O/c23-16-8-4-5-14(11-16)13-25-22(27)21-20(15-6-2-1-3-7-15)18-12-17(24)9-10-19(18)26-21/h1-12,26H,13H2,(H,25,27)
InChIKeyIYSSZCZPAPWNLS-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.04
Rot. Bonds4

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

5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 21014400) has the molecular formula C22H16F2N2O and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
PubChem CID21014400
Molecular FormulaC22H16F2N2O
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H16F2N2O/c23-16-8-4-5-14(11-16)13-25-22(27)21-20(15-6-2-1-3-7-15)18-12-17(24)9-10-19(18)26-21/h1-12,26H,13H2,(H,25,27)
InChIKeyIYSSZCZPAPWNLS-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

5-fluoro-3-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014366
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
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-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
CID 58125938
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
N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361099
3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
CID 82120262
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
N-[(2E)-2-ethenyl-4-(trifluoromethoxy)penta-2,4-dienyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 142237632
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide (CID 21014400) is 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide is O=C(NCc1cccc(F)c1)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is IYSSZCZPAPWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O/c23-16-8-4-5-14(11-16)13-25-22(27)21-20(15-6-2-1-3-7-15)18-12-17(24)9-10-19(18)26-21/h1-12,26H,13H2,(H,25,27).
What are the key properties of 5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide?
5-fluoro-N-[(3-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-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 21014400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).