N-benzyl-2-(3-chlorophenoxy)butanamide

C17H18ClNO2 — CID 13232174

IUPACN-benzyl-2-(3-chlorophenoxy)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-16(21-15-10-6-9-14(18)11-15)17(20)19-12-13-7-4-3-5-8-13/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyWYELWOPPKXIBSR-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.81
Rot. Bonds6

About N-benzyl-2-(3-chlorophenoxy)butanamide

N-benzyl-2-(3-chlorophenoxy)butanamide (PubChem CID 13232174) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-benzyl-2-(3-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chlorophenoxy)butanamide
PubChem CID13232174
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-benzyl-2-(3-chlorophenoxy)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-16(21-15-10-6-9-14(18)11-15)17(20)19-12-13-7-4-3-5-8-13/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyWYELWOPPKXIBSR-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)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
2-(3-chlorophenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189215
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chlorophenoxy)butanamide?
The IUPAC name of N-benzyl-2-(3-chlorophenoxy)butanamide (CID 13232174) is N-benzyl-2-(3-chlorophenoxy)butanamide.
What is the SMILES notation for N-benzyl-2-(3-chlorophenoxy)butanamide?
The canonical SMILES for N-benzyl-2-(3-chlorophenoxy)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-chlorophenoxy)butanamide?
The InChIKey is WYELWOPPKXIBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-16(21-15-10-6-9-14(18)11-15)17(20)19-12-13-7-4-3-5-8-13/h3-11,16H,2,12H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-(3-chlorophenoxy)butanamide?
N-benzyl-2-(3-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-(3-chlorophenoxy)butanamide is sourced from PubChem (CID 13232174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).