4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide

C18H21ClN2O — CID 118607439

IUPAC4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-8-18(22)20-17-11-9-16(19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyULOSXXAKRNHHEW-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.19
Rot. Bonds7

About 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide

4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide (PubChem CID 118607439) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide
PubChem CID118607439
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-8-18(22)20-17-11-9-16(19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyULOSXXAKRNHHEW-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide (CID 118607439) is 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide is CN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide?
The InChIKey is ULOSXXAKRNHHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-8-18(22)20-17-11-9-16(19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22).
What are the key properties of 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide?
4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide has a molecular weight of 316.83 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-(4-chlorophenyl)butanamide is sourced from PubChem (CID 118607439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).