N'-(4-chlorophenyl)-N-cyclohexylpropanediamide

C15H19ClN2O2 — CID 108942605

IUPACN'-(4-chlorophenyl)-N-cyclohexylpropanediamide
SMILESO=C(CC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-11-6-8-13(9-7-11)18-15(20)10-14(19)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,19)(H,18,20)
InChIKeyWLXFFPJHUUCTPC-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.12
Rot. Bonds4

About N'-(4-chlorophenyl)-N-cyclohexylpropanediamide

N'-(4-chlorophenyl)-N-cyclohexylpropanediamide (PubChem CID 108942605) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-cyclohexylpropanediamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-cyclohexylpropanediamide
PubChem CID108942605
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN'-(4-chlorophenyl)-N-cyclohexylpropanediamide
SMILESO=C(CC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-11-6-8-13(9-7-11)18-15(20)10-14(19)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,19)(H,18,20)
InChIKeyWLXFFPJHUUCTPC-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.12
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-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
CID 108951648
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-cyclohexylpropanediamide?
The IUPAC name of N'-(4-chlorophenyl)-N-cyclohexylpropanediamide (CID 108942605) is N'-(4-chlorophenyl)-N-cyclohexylpropanediamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-cyclohexylpropanediamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-cyclohexylpropanediamide is O=C(CC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-cyclohexylpropanediamide?
The InChIKey is WLXFFPJHUUCTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-11-6-8-13(9-7-11)18-15(20)10-14(19)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,19)(H,18,20).
What are the key properties of N'-(4-chlorophenyl)-N-cyclohexylpropanediamide?
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide has a molecular weight of 294.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-cyclohexylpropanediamide is sourced from PubChem (CID 108942605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).