3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide

C19H21ClN2O4 — CID 87001794

IUPAC3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H21ClN2O4/c1-11-9-14(20)6-8-16(11)26-12(2)18(23)22-15-10-13(19(24)21-3)5-7-17(15)25-4/h5-10,12H,1-4H3,(H,21,24)(H,22,23)
InChIKeyCGWCHJMKRPTYQW-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.42
Rot. Bonds6

About 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide

3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide (PubChem CID 87001794) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
PubChem CID87001794
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H21ClN2O4/c1-11-9-14(20)6-8-16(11)26-12(2)18(23)22-15-10-13(19(24)21-3)5-7-17(15)25-4/h5-10,12H,1-4H3,(H,21,24)(H,22,23)
InChIKeyCGWCHJMKRPTYQW-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87025364
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
dimethyl 2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 1358412
2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-4,5-dimethoxybenzoic acid
CID 1287453
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7916291
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide (CID 87001794) is 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide?
The InChIKey is CGWCHJMKRPTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-11-9-14(20)6-8-16(11)26-12(2)18(23)22-15-10-13(19(24)21-3)5-7-17(15)25-4/h5-10,12H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide?
3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide has a molecular weight of 376.84 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 87001794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).