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

C18H19ClN2O3 — CID 108955185

IUPACN-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O3/c1-3-24-16-7-5-4-6-15(16)21-18(23)11-17(22)20-14-9-8-13(19)10-12(14)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNGAMLBACEDRTFT-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.01
Rot. Bonds6

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

N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide (PubChem CID 108955185) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
PubChem CID108955185
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O3/c1-3-24-16-7-5-4-6-15(16)21-18(23)11-17(22)20-14-9-8-13(19)10-12(14)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNGAMLBACEDRTFT-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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

1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
2-[2-(4-chlorophenyl)ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 109002864
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955393
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide (CID 108955185) is N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The InChIKey is NGAMLBACEDRTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-24-16-7-5-4-6-15(16)21-18(23)11-17(22)20-14-9-8-13(19)10-12(14)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'-(2-ethoxyphenyl)propanediamide?
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide has a molecular weight of 346.81 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide is sourced from PubChem (CID 108955185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).