N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide

C23H18ClFN2O — CID 67494699

IUPACN-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide
SMILESCCC(=O)N(Cc1ccc(-c2ccccc2Cl)cc1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C23H18ClFN2O/c1-2-23(28)27(20-12-17(14-26)11-19(25)13-20)15-16-7-9-18(10-8-16)21-5-3-4-6-22(21)24/h3-13H,2,15H2,1H3
InChIKeyFOKUYDSCELYQIQ-UHFFFAOYSA-N
MW392.86 g/mol
LogP5.96
Rot. Bonds5

About N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide

N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide (PubChem CID 67494699) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide
PubChem CID67494699
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC NameN-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide
SMILESCCC(=O)N(Cc1ccc(-c2ccccc2Cl)cc1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C23H18ClFN2O/c1-2-23(28)27(20-12-17(14-26)11-19(25)13-20)15-16-7-9-18(10-8-16)21-5-3-4-6-22(21)24/h3-13H,2,15H2,1H3
InChIKeyFOKUYDSCELYQIQ-UHFFFAOYSA-N
XLogP5.96
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.86
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-Acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[b,f]azocin-8-yl)-benzonitrile
CID 44409304
3-(5-Acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[b,f]azocin-8-yl)-benzonitrile
CID 44409312
4-(5-Acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[b,f]azocin-8-yl)-benzonitrile
CID 44409355
(S)-2-chloro-4-((5-fluoro-2-methylbenzyl)(1-propionylpyrrolidin-3-yl)amino)benzonitrile
CID 46224678
1-[(2-Chloro-4-fluorophenyl)methyl]-4-(3-methylphenyl)piperazine-2,3-dione
CID 49839844
1-[(2-Chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine-2,3-dione
CID 49839847
2-chloro-4-(N-ethyl-2-methyl-5-phenylanilino)benzonitrile
CID 155563125
3-[4-chloro-3-ethyl-N-[(4-fluorophenyl)methyl]anilino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127032511
3-(2-chloro-6-fluorophenyl)-N,N-bis(2-cyanophenyl)propanamide
CID 145721470
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-[2-[4-(3-cyanophenyl)phenyl]ethyl]-2-pyrrolidin-1-ylacetamide
CID 10144566
N2-[(2-chlorophenyl)methyl]-N2-[4-cyano-3-(trifluoromethyl)phenyl]-N1,N1-dimethyl-L-alaninamide
CID 11948710
(2S)-2-[N-[(2-chlorophenyl)methyl]-4-cyano-3-(trifluoromethyl)anilino]-N,N,3-trimethylbutanamide
CID 11959259

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide?
The IUPAC name of N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide (CID 67494699) is N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide.
What is the SMILES notation for N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide?
The canonical SMILES for N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide is CCC(=O)N(Cc1ccc(-c2ccccc2Cl)cc1)c1cc(F)cc(C#N)c1.
What is the InChIKey of N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide?
The InChIKey is FOKUYDSCELYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c1-2-23(28)27(20-12-17(14-26)11-19(25)13-20)15-16-7-9-18(10-8-16)21-5-3-4-6-22(21)24/h3-13H,2,15H2,1H3.
What are the key properties of N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide?
N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide has a molecular weight of 392.86 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)phenyl]methyl]-N-(3-cyano-5-fluorophenyl)propanamide is sourced from PubChem (CID 67494699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).