4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide

C28H21ClF2N2O2 — CID 46056889

IUPAC4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C28H21ClF2N2O2/c29-22-8-6-21(7-9-22)28(35)33(18-19-4-10-23(30)11-5-19)26-3-1-2-20(16-26)17-27(34)32-25-14-12-24(31)13-15-25/h1-16H,17-18H2,(H,32,34)
InChIKeyRBHLVCTYPHIRHK-UHFFFAOYSA-N
MW490.94 g/mol
LogP6.65
Rot. Bonds7

About 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide

4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 46056889) has the molecular formula C28H21ClF2N2O2 and a molecular weight of 490.94 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID46056889
Molecular FormulaC28H21ClF2N2O2
Molecular Weight490.94 g/mol
Exact Mass490.13
IUPAC Name4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C28H21ClF2N2O2/c29-22-8-6-21(7-9-22)28(35)33(18-19-4-10-23(30)11-5-19)26-3-1-2-20(16-26)17-27(34)32-25-14-12-24(31)13-15-25/h1-16H,17-18H2,(H,32,34)
InChIKeyRBHLVCTYPHIRHK-UHFFFAOYSA-N
XLogP6.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.94
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056893
3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 46056352
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
CID 46057051
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
N-[3-[2-(3-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide
CID 42859630
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-cyano-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]benzamide
CID 46056715
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46162461
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide (CID 46056889) is 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide is O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c1)Nc1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is RBHLVCTYPHIRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF2N2O2/c29-22-8-6-21(7-9-22)28(35)33(18-19-4-10-23(30)11-5-19)26-3-1-2-20(16-26)17-27(34)32-25-14-12-24(31)13-15-25/h1-16H,17-18H2,(H,32,34).
What are the key properties of 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide?
4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 490.94 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 46056889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).