N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide

C19H20ClNO — CID 110301089

IUPACN-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H20ClNO/c1-21(13-14-5-3-2-4-6-14)19(22)18(15-7-8-15)16-9-11-17(20)12-10-16/h2-6,9-12,15,18H,7-8,13H2,1H3
InChIKeyAZQLMWGFZKMJIB-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.49
Rot. Bonds5

About N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide

N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide (PubChem CID 110301089) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
PubChem CID110301089
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H20ClNO/c1-21(13-14-5-3-2-4-6-14)19(22)18(15-7-8-15)16-9-11-17(20)12-10-16/h2-6,9-12,15,18H,7-8,13H2,1H3
InChIKeyAZQLMWGFZKMJIB-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
CID 41200260
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179
(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
CID 130520934
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
2-amino-3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179376
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
4-[(4-chlorophenyl)methyl-cyclopropylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide (CID 110301089) is N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide?
The InChIKey is AZQLMWGFZKMJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-21(13-14-5-3-2-4-6-14)19(22)18(15-7-8-15)16-9-11-17(20)12-10-16/h2-6,9-12,15,18H,7-8,13H2,1H3.
What are the key properties of N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide?
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide has a molecular weight of 313.83 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 110301089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).