N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide

C23H22ClNO — CID 43909696

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClNO/c1-25(17-18-12-14-21(24)15-13-18)23(26)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3
InChIKeyRLPDTFXKXBYYMR-UHFFFAOYSA-N
MW363.89 g/mol
LogP5.52
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide

N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide (PubChem CID 43909696) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
PubChem CID43909696
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClNO/c1-25(17-18-12-14-21(24)15-13-18)23(26)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3
InChIKeyRLPDTFXKXBYYMR-UHFFFAOYSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 42245901
(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide
CID 11087866
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide
CID 97264597
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100575770
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide (CID 43909696) is N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide is CN(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide?
The InChIKey is RLPDTFXKXBYYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-25(17-18-12-14-21(24)15-13-18)23(26)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide?
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide has a molecular weight of 363.89 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide is sourced from PubChem (CID 43909696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).