N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide

C18H19ClN2O3 — CID 108946779

IUPACN-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-6-4-3-5-15(16)21-18(23)11-17(22)20-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyTZLZHRSNYWCSCE-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.38
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide

N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide (PubChem CID 108946779) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
PubChem CID108946779
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-6-4-3-5-15(16)21-18(23)11-17(22)20-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyTZLZHRSNYWCSCE-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.38
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

N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108962843
ethyl 2-[[3-[(4-chlorophenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946830
2-[2-(4-chlorophenyl)ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 109002864
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109257644

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide (CID 108946779) is N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide?
The InChIKey is TZLZHRSNYWCSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-24-16-6-4-3-5-15(16)21-18(23)11-17(22)20-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide?
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide has a molecular weight of 346.81 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide is sourced from PubChem (CID 108946779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).