N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide

C19H21ClN2O2 — CID 108945758

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)CC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-5-7-16(8-6-14)13-22-19(24)12-18(23)21-10-9-15-3-2-4-17(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyAMUTZIUKJMGYSW-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide

N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108945758) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
PubChem CID108945758
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)CC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-5-7-16(8-6-14)13-22-19(24)12-18(23)21-10-9-15-3-2-4-17(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyAMUTZIUKJMGYSW-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 39731212
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide (CID 108945758) is N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide is Cc1ccc(CNC(=O)CC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is AMUTZIUKJMGYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-5-7-16(8-6-14)13-22-19(24)12-18(23)21-10-9-15-3-2-4-17(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide?
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 344.84 g/mol, XLogP of 3.01, 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'-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).