N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide

C19H27ClN2O2 — CID 108966110

IUPACN-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-13-10-11-15(12-16(13)20)22-18(24)19(2,3)17(23)21-14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMGAPRGSELNYVAW-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.45
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide

N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide (PubChem CID 108966110) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
PubChem CID108966110
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-13-10-11-15(12-16(13)20)22-18(24)19(2,3)17(23)21-14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMGAPRGSELNYVAW-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.45
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-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide (CID 108966110) is N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
The InChIKey is MGAPRGSELNYVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-13-10-11-15(12-16(13)20)22-18(24)19(2,3)17(23)21-14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide has a molecular weight of 350.89 g/mol, XLogP of 4.45, 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'-cycloheptyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108966110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).