4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C17H23ClN2O2 — CID 109144371

IUPAC4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h3-5,11-13H,2,6-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyMEWUSGCZQMBLPF-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.61
Rot. Bonds5

About 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144371) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144371
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h3-5,11-13H,2,6-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyMEWUSGCZQMBLPF-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 39887824
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144371) is 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is MEWUSGCZQMBLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h3-5,11-13H,2,6-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).