N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide

C19H21ClN2O2 — CID 108968198

IUPACN-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-4-13-8-5-6-11-16(13)22-18(24)19(2,3)17(23)21-15-10-7-9-14(20)12-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMDQSGXCTFDTZES-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.51
Rot. Bonds5

About N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide

N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968198) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968198
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-4-13-8-5-6-11-16(13)22-18(24)19(2,3)17(23)21-15-10-7-9-14(20)12-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMDQSGXCTFDTZES-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.51
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-(4-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968199
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968225
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
N-(2-ethylphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968210
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968527

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide (CID 108968198) is N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide is CCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is MDQSGXCTFDTZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-4-13-8-5-6-11-16(13)22-18(24)19(2,3)17(23)21-15-10-7-9-14(20)12-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 344.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).