4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide

C18H20ClNO2 — CID 17161027

IUPAC4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
SMILESO=C(CCCCl)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C18H20ClNO2/c19-12-5-10-18(21)20-16-8-4-9-17(14-16)22-13-11-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,20,21)
InChIKeyWSDGNGMWDGCQRN-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.27
Rot. Bonds8

About 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide

4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide (PubChem CID 17161027) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
PubChem CID17161027
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
SMILESO=C(CCCCl)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C18H20ClNO2/c19-12-5-10-18(21)20-16-8-4-9-17(14-16)22-13-11-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,20,21)
InChIKeyWSDGNGMWDGCQRN-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.27
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-phenylmethoxyphenyl)butanamide
CID 17161005
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide (CID 17161027) is 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide is O=C(CCCCl)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide?
The InChIKey is WSDGNGMWDGCQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-12-5-10-18(21)20-16-8-4-9-17(14-16)22-13-11-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,20,21).
What are the key properties of 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide?
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide is sourced from PubChem (CID 17161027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).