N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide

C19H21ClN2O2 — CID 108954109

IUPACN-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
SMILESCCN(C(=O)CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-4-22(15-8-6-5-7-9-15)18(24)12-17(23)21-19-14(3)10-13(2)11-16(19)20/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyXRQLXLYSJPGSLT-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.34
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide

N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide (PubChem CID 108954109) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
PubChem CID108954109
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
SMILESCCN(C(=O)CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-4-22(15-8-6-5-7-9-15)18(24)12-17(23)21-19-14(3)10-13(2)11-16(19)20/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyXRQLXLYSJPGSLT-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142159
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155053
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175984
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide (CID 108954109) is N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide is CCN(C(=O)CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
The InChIKey is XRQLXLYSJPGSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-4-22(15-8-6-5-7-9-15)18(24)12-17(23)21-19-14(3)10-13(2)11-16(19)20/h5-11H,4,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide has a molecular weight of 344.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108954109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).