N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide

C20H22Cl2N2O2 — CID 108966968

IUPACN-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13-7-8-16(22)12-17(13)24-19(26)20(2,3)18(25)23-10-9-14-5-4-6-15(21)11-14/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySYOMKYUDDZHDOF-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.63
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide

N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108966968) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108966968
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13-7-8-16(22)12-17(13)24-19(26)20(2,3)18(25)23-10-9-14-5-4-6-15(21)11-14/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySYOMKYUDDZHDOF-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.63
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-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-N'-quinolin-8-ylpropanediamide
CID 108966983
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
N-[2-(3-chlorophenyl)ethyl]-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108966987
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108961228

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide (CID 108966968) is N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide is Cc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is SYOMKYUDDZHDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-13-7-8-16(22)12-17(13)24-19(26)20(2,3)18(25)23-10-9-14-5-4-6-15(21)11-14/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide?
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 393.31 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108966968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).