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

C18H19ClN2O3 — CID 108955088

IUPACN-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H19ClN2O3/c1-11-7-8-16(24-3)15(9-11)21-18(23)10-17(22)20-14-6-4-5-13(19)12(14)2/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCHGRRCVDWFIVRS-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.93
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide (PubChem CID 108955088) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
PubChem CID108955088
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H19ClN2O3/c1-11-7-8-16(24-3)15(9-11)21-18(23)10-17(22)20-14-6-4-5-13(19)12(14)2/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCHGRRCVDWFIVRS-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.93
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

2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955809
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
3-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092447

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide (CID 108955088) is N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide is COc1ccc(C)cc1NC(=O)CC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
The InChIKey is CHGRRCVDWFIVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-7-8-16(24-3)15(9-11)21-18(23)10-17(22)20-14-6-4-5-13(19)12(14)2/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide has a molecular weight of 346.81 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide is sourced from PubChem (CID 108955088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).