N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide

C16H16ClNO — CID 138899896

IUPACN-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
SMILESCC(C)C(=O)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(2)16(19)18(14-6-4-3-5-7-14)15-10-8-13(17)9-11-15/h3-12H,1-2H3
InChIKeyWYCVPKNNBBZHBQ-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.66
Rot. Bonds3

About N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide

N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide (PubChem CID 138899896) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
PubChem CID138899896
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
SMILESCC(C)C(=O)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(2)16(19)18(14-6-4-3-5-7-14)15-10-8-13(17)9-11-15/h3-12H,1-2H3
InChIKeyWYCVPKNNBBZHBQ-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
CID 86237214
2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide
CID 129165018
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
CID 2359267
N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
CID 28769527
(4-chlorophenyl)-(2-methylphenyl)carbamic acid
CID 57361807
(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
CID 102439539
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-but-3-en-2-yl-4-chloro-N-phenylbenzamide
CID 175533632
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
CID 15045876
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide (CID 138899896) is N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide is CC(C)C(=O)N(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide?
The InChIKey is WYCVPKNNBBZHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(2)16(19)18(14-6-4-3-5-7-14)15-10-8-13(17)9-11-15/h3-12H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide?
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide has a molecular weight of 273.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 138899896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).