N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide

C18H19ClN2O4 — CID 108955393

IUPACN-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-3-25-16-7-5-4-6-14(16)21-18(23)11-17(22)20-12-8-9-15(24-2)13(19)10-12/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySKSKMTFRZMHBHZ-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.71
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide

N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide (PubChem CID 108955393) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
PubChem CID108955393
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-3-25-16-7-5-4-6-14(16)21-18(23)11-17(22)20-12-8-9-15(24-2)13(19)10-12/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySKSKMTFRZMHBHZ-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.71
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-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969247
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982890
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108955430
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54819132
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731140
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide (CID 108955393) is N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The InChIKey is SKSKMTFRZMHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-25-16-7-5-4-6-14(16)21-18(23)11-17(22)20-12-8-9-15(24-2)13(19)10-12/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide?
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide has a molecular weight of 362.81 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide is sourced from PubChem (CID 108955393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).