N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide

C18H19ClN2O2 — CID 108954023

IUPACN'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-13-4-7-15(8-5-13)20-17(22)11-18(23)21-16-9-6-14(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRRSYAFWRJYOIGR-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.18
Rot. Bonds5

About N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide

N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide (PubChem CID 108954023) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
PubChem CID108954023
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-13-4-7-15(8-5-13)20-17(22)11-18(23)21-16-9-6-14(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRRSYAFWRJYOIGR-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
methyl 3-[[3-(4-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955199
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844696
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide (CID 108954023) is N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide is CCc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide?
The InChIKey is RRSYAFWRJYOIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-13-4-7-15(8-5-13)20-17(22)11-18(23)21-16-9-6-14(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide?
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide has a molecular weight of 330.82 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide is sourced from PubChem (CID 108954023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).