1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C17H22Cl2N2O2 — CID 109144629

IUPAC1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-10(2)20-16(22)11-3-5-12(6-4-11)17(23)21-15-8-7-13(18)9-14(15)19/h7-12H,3-6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNUJUFSOEMRCWAR-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.26
Rot. Bonds4

About 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144629) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144629
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-10(2)20-16(22)11-3-5-12(6-4-11)17(23)21-15-8-7-13(18)9-14(15)19/h7-12H,3-6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNUJUFSOEMRCWAR-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145381
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144573
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144629) is 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CC(C)NC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is NUJUFSOEMRCWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-10(2)20-16(22)11-3-5-12(6-4-11)17(23)21-15-8-7-13(18)9-14(15)19/h7-12H,3-6H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 357.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).