2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide

C24H22ClFN2O2 — CID 133238116

IUPAC2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)C(C(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C24H22ClFN2O2/c1-17(29)28(16-18-11-13-21(26)14-12-18)23(19-7-3-2-4-8-19)24(30)27-15-20-9-5-6-10-22(20)25/h2-14,23H,15-16H2,1H3,(H,27,30)
InChIKeyVLPWKGBQXXXQAV-UHFFFAOYSA-N
MW424.90 g/mol
LogP4.89
Rot. Bonds7

About 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide

2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide (PubChem CID 133238116) has the molecular formula C24H22ClFN2O2 and a molecular weight of 424.90 g/mol. Its IUPAC name is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
PubChem CID133238116
Molecular FormulaC24H22ClFN2O2
Molecular Weight424.90 g/mol
Exact Mass424.14
IUPAC Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)C(C(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C24H22ClFN2O2/c1-17(29)28(16-18-11-13-21(26)14-12-18)23(19-7-3-2-4-8-19)24(30)27-15-20-9-5-6-10-22(20)25/h2-14,23H,15-16H2,1H3,(H,27,30)
InChIKeyVLPWKGBQXXXQAV-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237321
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-2-phenylacetamide
CID 133237884
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 133212988
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 133213224
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
CID 133238136
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133238314
N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133238194
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238309
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238311

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide (CID 133238116) is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide is CC(=O)N(Cc1ccc(F)cc1)C(C(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide?
The InChIKey is VLPWKGBQXXXQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O2/c1-17(29)28(16-18-11-13-21(26)14-12-18)23(19-7-3-2-4-8-19)24(30)27-15-20-9-5-6-10-22(20)25/h2-14,23H,15-16H2,1H3,(H,27,30).
What are the key properties of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide?
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide has a molecular weight of 424.90 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 133238116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).