3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide

C17H17ClN2O3 — CID 53288806

IUPAC3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(C(N)=O)c2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-10-8-14(6-7-15(10)18)23-11(2)17(22)20-13-5-3-4-12(9-13)16(19)21/h3-9,11H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyPVMMNFQDFPJPGL-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.15
Rot. Bonds5

About 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide

3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide (PubChem CID 53288806) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
PubChem CID53288806
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(C(N)=O)c2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-10-8-14(6-7-15(10)18)23-11(2)17(22)20-13-5-3-4-12(9-13)16(19)21/h3-9,11H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyPVMMNFQDFPJPGL-UHFFFAOYSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
CID 95706030
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 53288807
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 1177997
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide (CID 53288806) is 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide is Cc1cc(OC(C)C(=O)Nc2cccc(C(N)=O)c2)ccc1Cl.
What is the InChIKey of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide?
The InChIKey is PVMMNFQDFPJPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-10-8-14(6-7-15(10)18)23-11(2)17(22)20-13-5-3-4-12(9-13)16(19)21/h3-9,11H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide?
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide has a molecular weight of 332.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 53288806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).