N-[(2-chlorophenyl)methyl]-2-phenylbutanamide

C17H18ClNO — CID 2923714

IUPACN-[(2-chlorophenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-12-14-10-6-7-11-16(14)18/h3-11,15H,2,12H2,1H3,(H,19,20)
InChIKeyHIYZUDIGXJSDFG-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.15
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-phenylbutanamide

N-[(2-chlorophenyl)methyl]-2-phenylbutanamide (PubChem CID 2923714) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-phenylbutanamide
PubChem CID2923714
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-12-14-10-6-7-11-16(14)18/h3-11,15H,2,12H2,1H3,(H,19,20)
InChIKeyHIYZUDIGXJSDFG-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3821
Esketamine
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Esketamine Hydrochloride
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Arketamine
CID 644025
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-Chloro-N-phenethylbenzamide
CID 306479
N-Benzyl-2-chloro-benzamide
CID 347073
Benzamide derivative 11
CID 41306362

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenylbutanamide (CID 2923714) is N-[(2-chlorophenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-phenylbutanamide is CCC(C(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-phenylbutanamide?
The InChIKey is HIYZUDIGXJSDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-12-14-10-6-7-11-16(14)18/h3-11,15H,2,12H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-phenylbutanamide?
N-[(2-chlorophenyl)methyl]-2-phenylbutanamide has a molecular weight of 287.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 2923714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).