N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide

C17H17ClN2O2 — CID 108947987

IUPACN'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c18-14-6-8-15(9-7-14)20-17(22)12-16(21)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyNKCLHODLWGXUSU-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.03
Rot. Bonds6

About N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide

N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide (PubChem CID 108947987) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
PubChem CID108947987
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c18-14-6-8-15(9-7-14)20-17(22)12-16(21)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyNKCLHODLWGXUSU-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.03
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

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 108949870
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
CID 108949880
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
CID 108951290
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide (CID 108947987) is N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide is O=C(CC(=O)Nc1ccc(Cl)cc1)NCCc1ccccc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide?
The InChIKey is NKCLHODLWGXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-14-6-8-15(9-7-14)20-17(22)12-16(21)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide?
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide has a molecular weight of 316.79 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 108947987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).