N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide

C28H22ClFN2O2 — CID 5184696

IUPACN-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(NC(C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C28H22ClFN2O2/c29-22-17-15-21(16-18-22)26(32-27(33)23-13-7-8-14-24(23)30)28(34)31-25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,25-26H,(H,31,34)(H,32,33)
InChIKeyIWQMICZNFNMMSX-UHFFFAOYSA-N
MW472.95 g/mol
LogP5.86
Rot. Bonds7

About N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide

N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 5184696) has the molecular formula C28H22ClFN2O2 and a molecular weight of 472.95 g/mol. Its IUPAC name is N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide
PubChem CID5184696
Molecular FormulaC28H22ClFN2O2
Molecular Weight472.95 g/mol
Exact Mass472.14
IUPAC NameN-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(NC(C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C28H22ClFN2O2/c29-22-17-15-21(16-18-22)26(32-27(33)23-13-7-8-14-24(23)30)28(34)31-25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,25-26H,(H,31,34)(H,32,33)
InChIKeyIWQMICZNFNMMSX-UHFFFAOYSA-N
XLogP5.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.95
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide (CID 5184696) is N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide is O=C(NC(C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is IWQMICZNFNMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN2O2/c29-22-17-15-21(16-18-22)26(32-27(33)23-13-7-8-14-24(23)30)28(34)31-25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,25-26H,(H,31,34)(H,32,33).
What are the key properties of N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 472.95 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 5184696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).