3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide

C18H20ClNO2 — CID 70421395

IUPAC3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide
SMILESCC(CC(N)=O)c1ccc(OC(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-12(10-18(20)21)15-8-9-17(16(19)11-15)22-13(2)14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3,(H2,20,21)
InChIKeyYKWUDQMUUQFYCV-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.46
Rot. Bonds6

About 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide

3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide (PubChem CID 70421395) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide
PubChem CID70421395
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide
SMILESCC(CC(N)=O)c1ccc(OC(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-12(10-18(20)21)15-8-9-17(16(19)11-15)22-13(2)14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3,(H2,20,21)
InChIKeyYKWUDQMUUQFYCV-UHFFFAOYSA-N
XLogP4.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
(Z)-but-2-enedioic acid;3-(2-chloro-4-propan-2-ylphenoxy)-2-methyl-3-phenylpropan-1-amine
CID 66604599
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
CID 62494768
5-(1-phenylethyl)-2-[1-[4-(1-phenylethyl)phenyl]ethoxy]benzoic acid
CID 151769590
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene
CID 144703665
4-methyl-3-phenylpentanamide
CID 66616845
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide?
The IUPAC name of 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide (CID 70421395) is 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide.
What is the SMILES notation for 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide?
The canonical SMILES for 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide is CC(CC(N)=O)c1ccc(OC(C)c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide?
The InChIKey is YKWUDQMUUQFYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(10-18(20)21)15-8-9-17(16(19)11-15)22-13(2)14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3,(H2,20,21).
What are the key properties of 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide?
3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide is sourced from PubChem (CID 70421395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).