N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide

C17H18ClNO — CID 10684735

IUPACN-benzyl-N-(2-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-13(2)17(20)19(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3
InChIKeyWTVZCTANRYWBLJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.53
Rot. Bonds4

About N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide

N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide (PubChem CID 10684735) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chlorophenyl)-2-methylpropanamide
PubChem CID10684735
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-benzyl-N-(2-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-13(2)17(20)19(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3
InChIKeyWTVZCTANRYWBLJ-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide (CID 10684735) is N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide is CC(C)C(=O)N(Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide?
The InChIKey is WTVZCTANRYWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13(2)17(20)19(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3.
What are the key properties of N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide?
N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide has a molecular weight of 287.79 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 10684735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).