N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide

C27H21F2NO — CID 42709331

IUPACN-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21F2NO/c28-24-15-11-20(12-16-24)19-30(27(31)23-13-17-25(29)18-14-23)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,26H,19H2
InChIKeyPRKLDOYIRRFNSF-UHFFFAOYSA-N
MW413.47 g/mol
LogP6.40
Rot. Bonds6

About N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide

N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 42709331) has the molecular formula C27H21F2NO and a molecular weight of 413.47 g/mol. Its IUPAC name is N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID42709331
Molecular FormulaC27H21F2NO
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC NameN-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21F2NO/c28-24-15-11-20(12-16-24)19-30(27(31)23-13-17-25(29)18-14-23)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,26H,19H2
InChIKeyPRKLDOYIRRFNSF-UHFFFAOYSA-N
XLogP6.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
1-benzhydryl-3-(2,6-dimethylphenyl)-1-[(4-fluorophenyl)methyl]urea
CID 42709355
N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42710801
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
CID 133238136
N-benzhydryl-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42709511
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-[2-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]ethyl]-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42710281
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 118246886

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 42709331) is N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is PRKLDOYIRRFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2NO/c28-24-15-11-20(12-16-24)19-30(27(31)23-13-17-25(29)18-14-23)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,26H,19H2.
What are the key properties of N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 413.47 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42709331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).