N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide

C17H23ClN2O2 — CID 108951589

IUPACN'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
SMILESCc1ccc(NC(=O)CC(=O)NC2CCCCCC2)cc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-12-8-9-14(10-15(12)18)20-17(22)11-16(21)19-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRVYXKNLBSNNIBR-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.82
Rot. Bonds4

About N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide

N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide (PubChem CID 108951589) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
PubChem CID108951589
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
SMILESCc1ccc(NC(=O)CC(=O)NC2CCCCCC2)cc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-12-8-9-14(10-15(12)18)20-17(22)11-16(21)19-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRVYXKNLBSNNIBR-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.82
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

1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
CID 108951648
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide (CID 108951589) is N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide is Cc1ccc(NC(=O)CC(=O)NC2CCCCCC2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide?
The InChIKey is RVYXKNLBSNNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-8-9-14(10-15(12)18)20-17(22)11-16(21)19-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide?
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide has a molecular weight of 322.84 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide is sourced from PubChem (CID 108951589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).