N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide

C20H15ClFNO — CID 973229

IUPACN-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C20H15ClFNO/c21-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)23-20(24)16-7-4-8-18(22)13-16/h1-13,19H,(H,23,24)/t19-/m0/s1
InChIKeyQMUOHINKSIHKDW-IBGZPJMESA-N
MW339.80 g/mol
LogP5.00
Rot. Bonds4

About N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide

N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide (PubChem CID 973229) has the molecular formula C20H15ClFNO and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
PubChem CID973229
Molecular FormulaC20H15ClFNO
Molecular Weight339.80 g/mol
Exact Mass339.08
IUPAC NameN-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C20H15ClFNO/c21-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)23-20(24)16-7-4-8-18(22)13-16/h1-13,19H,(H,23,24)/t19-/m0/s1
InChIKeyQMUOHINKSIHKDW-IBGZPJMESA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide
CID 25440599
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide
CID 5127035
N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide
CID 18334245
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78841975
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide (CID 973229) is N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide is O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide?
The InChIKey is QMUOHINKSIHKDW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H15ClFNO/c21-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)23-20(24)16-7-4-8-18(22)13-16/h1-13,19H,(H,23,24)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide?
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide has a molecular weight of 339.80 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide is sourced from PubChem (CID 973229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).