N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide

C19H22ClNO4 — CID 54785530

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C19H22ClNO4/c1-4-16(25-14-8-6-5-7-9-14)19(22)21-12-13-10-17(23-2)18(24-3)11-15(13)20/h5-11,16H,4,12H2,1-3H3,(H,21,22)
InChIKeyCAPPXEQUJBJKDN-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.83
Rot. Bonds8

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide (PubChem CID 54785530) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
PubChem CID54785530
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C19H22ClNO4/c1-4-16(25-14-8-6-5-7-9-14)19(22)21-12-13-10-17(23-2)18(24-3)11-15(13)20/h5-11,16H,4,12H2,1-3H3,(H,21,22)
InChIKeyCAPPXEQUJBJKDN-UHFFFAOYSA-N
XLogP3.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54785489
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
CID 132653687
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide (CID 54785530) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide?
The InChIKey is CAPPXEQUJBJKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-4-16(25-14-8-6-5-7-9-14)19(22)21-12-13-10-17(23-2)18(24-3)11-15(13)20/h5-11,16H,4,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide has a molecular weight of 363.84 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide is sourced from PubChem (CID 54785530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).