N-benzyl-2-(4-chlorophenoxy)butanamide

C17H18ClNO2 — CID 13232190

IUPACN-benzyl-2-(4-chlorophenoxy)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyUKULIZUOOCQAGM-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.81
Rot. Bonds6

About N-benzyl-2-(4-chlorophenoxy)butanamide

N-benzyl-2-(4-chlorophenoxy)butanamide (PubChem CID 13232190) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenoxy)butanamide
PubChem CID13232190
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-benzyl-2-(4-chlorophenoxy)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyUKULIZUOOCQAGM-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
4-[(2-phenoxybutanoylamino)methyl]benzoic acid
CID 17171934

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenoxy)butanamide?
The IUPAC name of N-benzyl-2-(4-chlorophenoxy)butanamide (CID 13232190) is N-benzyl-2-(4-chlorophenoxy)butanamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenoxy)butanamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenoxy)butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chlorophenoxy)butanamide?
The InChIKey is UKULIZUOOCQAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-(4-chlorophenoxy)butanamide?
N-benzyl-2-(4-chlorophenoxy)butanamide has a molecular weight of 303.79 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenoxy)butanamide is sourced from PubChem (CID 13232190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).