4-chloro-N-(3-phenylmethoxyphenyl)butanamide

C17H18ClNO2 — CID 17161005

IUPAC4-chloro-N-(3-phenylmethoxyphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c18-11-5-10-17(20)19-15-8-4-9-16(12-15)21-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,19,20)
InChIKeyMGXWIXVALYAREI-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.22
Rot. Bonds7

About 4-chloro-N-(3-phenylmethoxyphenyl)butanamide

4-chloro-N-(3-phenylmethoxyphenyl)butanamide (PubChem CID 17161005) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-N-(3-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-phenylmethoxyphenyl)butanamide
PubChem CID17161005
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name4-chloro-N-(3-phenylmethoxyphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c18-11-5-10-17(20)19-15-8-4-9-16(12-15)21-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,19,20)
InChIKeyMGXWIXVALYAREI-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide
CID 134815924
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
CID 2187605
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
N-(3-phenylmethoxyphenyl)formamide
CID 87791021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-phenylmethoxyphenyl)butanamide?
The IUPAC name of 4-chloro-N-(3-phenylmethoxyphenyl)butanamide (CID 17161005) is 4-chloro-N-(3-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-phenylmethoxyphenyl)butanamide is O=C(CCCCl)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-(3-phenylmethoxyphenyl)butanamide?
The InChIKey is MGXWIXVALYAREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-11-5-10-17(20)19-15-8-4-9-16(12-15)21-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,19,20).
What are the key properties of 4-chloro-N-(3-phenylmethoxyphenyl)butanamide?
4-chloro-N-(3-phenylmethoxyphenyl)butanamide has a molecular weight of 303.79 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 17161005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).