N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide

C16H16ClNO — CID 66744923

IUPACN-(2-chlorophenyl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO/c1-18(15-10-6-5-9-14(15)17)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyFVFLWYRUBRXGCG-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.94
Rot. Bonds4

About N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide

N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide (PubChem CID 66744923) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methyl-3-phenylpropanamide
PubChem CID66744923
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(2-chlorophenyl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO/c1-18(15-10-6-5-9-14(15)17)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyFVFLWYRUBRXGCG-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
S-chloro N-(2-chlorophenyl)-N-methylcarbamothioate
CID 12957837
N-chloro-N-methoxy-3-phenylpropanamide
CID 10443211
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
4-[3-[1-(2-chlorophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119180616
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
CID 60538754
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide (CID 66744923) is N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide is CN(C(=O)CCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is FVFLWYRUBRXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18(15-10-6-5-9-14(15)17)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide?
N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 273.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 66744923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).