N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide

C19H20ClNO3 — CID 31471763

IUPACN-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2ccccc2Cl)c(C(C)=O)c1
InChIInChI=1S/C19H20ClNO3/c1-3-6-19(23)21-15-9-10-18(16(11-15)13(2)22)24-12-14-7-4-5-8-17(14)20/h4-5,7-11H,3,6,12H2,1-2H3,(H,21,23)
InChIKeyLBFDDFJSEPLRSP-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.86
Rot. Bonds7

About N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide

N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide (PubChem CID 31471763) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
PubChem CID31471763
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2ccccc2Cl)c(C(C)=O)c1
InChIInChI=1S/C19H20ClNO3/c1-3-6-19(23)21-15-9-10-18(16(11-15)13(2)22)24-12-14-7-4-5-8-17(14)20/h4-5,7-11H,3,6,12H2,1-2H3,(H,21,23)
InChIKeyLBFDDFJSEPLRSP-UHFFFAOYSA-N
XLogP4.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
CID 55602601
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
CID 10850109
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2119534
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide (CID 31471763) is N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCc2ccccc2Cl)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide?
The InChIKey is LBFDDFJSEPLRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-6-19(23)21-15-9-10-18(16(11-15)13(2)22)24-12-14-7-4-5-8-17(14)20/h4-5,7-11H,3,6,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide?
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide has a molecular weight of 345.83 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide is sourced from PubChem (CID 31471763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).