N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide

C20H23ClN2O2 — CID 108966948

IUPACN-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
SMILESCN(C(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-20(2,19(25)23(3)17-10-5-4-6-11-17)18(24)22-13-12-15-8-7-9-16(21)14-15/h4-11,14H,12-13H2,1-3H3,(H,22,24)
InChIKeyJXHLDOSIFVQUKA-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide

N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide (PubChem CID 108966948) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
PubChem CID108966948
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
SMILESCN(C(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-20(2,19(25)23(3)17-10-5-4-6-11-17)18(24)22-13-12-15-8-7-9-16(21)14-15/h4-11,14H,12-13H2,1-3H3,(H,22,24)
InChIKeyJXHLDOSIFVQUKA-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.69
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

N-benzyl-N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-2,2-dimethylpropanediamide
CID 108963251
N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108964180
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
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
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108961228
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide (CID 108966948) is N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide is CN(C(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
The InChIKey is JXHLDOSIFVQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-20(2,19(25)23(3)17-10-5-4-6-11-17)18(24)22-13-12-15-8-7-9-16(21)14-15/h4-11,14H,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide has a molecular weight of 358.87 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108966948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).