N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide

C18H20ClNO2 — CID 4262485

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-12(14-7-5-4-6-8-14)10-18(21)20-16-9-13(2)15(19)11-17(16)22-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyDEOAQVFMDXLVNN-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.79
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide (PubChem CID 4262485) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
PubChem CID4262485
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-12(14-7-5-4-6-8-14)10-18(21)20-16-9-13(2)15(19)11-17(16)22-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyDEOAQVFMDXLVNN-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
CID 78804763
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811497
3-[(2-amino-2-phenylacetyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119341638
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide (CID 4262485) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide is COc1cc(Cl)c(C)cc1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide?
The InChIKey is DEOAQVFMDXLVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(14-7-5-4-6-8-14)10-18(21)20-16-9-13(2)15(19)11-17(16)22-3/h4-9,11-12H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide has a molecular weight of 317.82 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 4262485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).