N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide

C18H19ClN2O4 — CID 108955190

IUPACN'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-8-12(19)4-6-14(11)21-18(23)10-17(22)20-13-5-7-15(24-2)16(9-13)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVCJUEPLWMYMKBN-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.63
Rot. Bonds6

About N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide

N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide (PubChem CID 108955190) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
PubChem CID108955190
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-8-12(19)4-6-14(11)21-18(23)10-17(22)20-13-5-7-15(24-2)16(9-13)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVCJUEPLWMYMKBN-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
methyl 3-[[3-(4-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955199
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide (CID 108955190) is N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1OC.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide?
The InChIKey is VCJUEPLWMYMKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-8-12(19)4-6-14(11)21-18(23)10-17(22)20-13-5-7-15(24-2)16(9-13)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide?
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide has a molecular weight of 362.81 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide is sourced from PubChem (CID 108955190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).