N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide

C20H28Cl2N2O — CID 12862707

IUPACN-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide
SMILESCN(C)C1CCCC1N(C(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H28Cl2N2O/c1-23(2)18-9-6-10-19(18)24(15-11-12-16(21)17(22)13-15)20(25)14-7-4-3-5-8-14/h11-14,18-19H,3-10H2,1-2H3
InChIKeyFYCAIZDAJDBIFC-UHFFFAOYSA-N
MW383.36 g/mol
LogP5.39
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide

N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide (PubChem CID 12862707) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide
PubChem CID12862707
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC NameN-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide
SMILESCN(C)C1CCCC1N(C(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H28Cl2N2O/c1-23(2)18-9-6-10-19(18)24(15-11-12-16(21)17(22)13-15)20(25)14-7-4-3-5-8-14/h11-14,18-19H,3-10H2,1-2H3
InChIKeyFYCAIZDAJDBIFC-UHFFFAOYSA-N
XLogP5.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.36
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide
CID 12862698
(Z)-but-2-enedioic acid;N-(3,4-dichlorophenyl)-N-[(1R)-2-(dimethylamino)cyclopentyl]propanamide
CID 23724892
cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 69305559
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide
CID 154562211
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
N-(3-chloro-4-methylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclohexanecarboxamide
CID 40706184
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
CID 113095001

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide (CID 12862707) is N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide is CN(C)C1CCCC1N(C(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide?
The InChIKey is FYCAIZDAJDBIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O/c1-23(2)18-9-6-10-19(18)24(15-11-12-16(21)17(22)13-15)20(25)14-7-4-3-5-8-14/h11-14,18-19H,3-10H2,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide?
N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide has a molecular weight of 383.36 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide is sourced from PubChem (CID 12862707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).