N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide

C19H21ClN2O2 — CID 108952537

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-2-15-7-3-4-9-17(15)22-19(24)13-18(23)21-11-10-14-6-5-8-16(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyJTOIICBFTLSRKW-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide

N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide (PubChem CID 108952537) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
PubChem CID108952537
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-2-15-7-3-4-9-17(15)22-19(24)13-18(23)21-11-10-14-6-5-8-16(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyJTOIICBFTLSRKW-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.59
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'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113153600
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 81313061
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide (CID 108952537) is N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide is CCc1ccccc1NC(=O)CC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide?
The InChIKey is JTOIICBFTLSRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-15-7-3-4-9-17(15)22-19(24)13-18(23)21-11-10-14-6-5-8-16(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide?
N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide has a molecular weight of 344.84 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide is sourced from PubChem (CID 108952537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).