N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide

C17H18ClNO2 — CID 13232131

IUPACN-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-2-16(21-15-9-4-3-5-10-15)17(20)19-12-13-7-6-8-14(18)11-13/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyUEMDYSBUZPLJKU-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.81
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide

N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide (PubChem CID 13232131) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
PubChem CID13232131
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-2-16(21-15-9-4-3-5-10-15)17(20)19-12-13-7-6-8-14(18)11-13/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyUEMDYSBUZPLJKU-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-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189215
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide (CID 13232131) is N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide?
The InChIKey is UEMDYSBUZPLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-16(21-15-9-4-3-5-10-15)17(20)19-12-13-7-6-8-14(18)11-13/h3-11,16H,2,12H2,1H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide?
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide 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-[(3-chlorophenyl)methyl]-2-phenoxybutanamide is sourced from PubChem (CID 13232131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).