N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide

C17H17ClN2O3 — CID 108953026

IUPACN'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-3-5-13(8-11)19-16(21)10-17(22)20-14-9-12(18)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQANUIZOJSOUFBI-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.62
Rot. Bonds5

About N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide

N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide (PubChem CID 108953026) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
PubChem CID108953026
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-3-5-13(8-11)19-16(21)10-17(22)20-14-9-12(18)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQANUIZOJSOUFBI-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108955782
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
(Z)-3-(5-chloro-2-methoxyanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858489
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide (CID 108953026) is N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide is COc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide?
The InChIKey is QANUIZOJSOUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-4-3-5-13(8-11)19-16(21)10-17(22)20-14-9-12(18)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide?
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide has a molecular weight of 332.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108953026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).