N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

C18H19ClN2O3 — CID 108946920

IUPACN'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H19ClN2O3/c1-12-14(19)7-5-8-15(12)21-18(23)10-17(22)20-11-13-6-3-4-9-16(13)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCMFXHOHJVBXUAB-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.30
Rot. Bonds6

About N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (PubChem CID 108946920) 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-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
PubChem CID108946920
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H19ClN2O3/c1-12-14(19)7-5-8-15(12)21-18(23)10-17(22)20-11-13-6-3-4-9-16(13)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCMFXHOHJVBXUAB-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.30
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

3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide
CID 131893479
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)oxamide
CID 45000336
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
CID 108946674

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (CID 108946920) is N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is COc1ccccc1CNC(=O)CC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The InChIKey is CMFXHOHJVBXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-14(19)7-5-8-15(12)21-18(23)10-17(22)20-11-13-6-3-4-9-16(13)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide has a molecular weight of 346.81 g/mol, XLogP of 3.30, 6 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-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108946920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).