2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide

C17H25ClN2O — CID 43709780

IUPAC2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCC1CCCC(C)C1Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C17H25ClN2O/c1-11-6-5-7-12(2)16(11)19-13-8-9-15(18)14(10-13)17(21)20(3)4/h8-12,16,19H,5-7H2,1-4H3
InChIKeyRCHPJACJENQZLV-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide

2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (PubChem CID 43709780) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
PubChem CID43709780
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCC1CCCC(C)C1Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C17H25ClN2O/c1-11-6-5-7-12(2)16(11)19-13-8-9-15(18)14(10-13)17(21)20(3)4/h8-12,16,19H,5-7H2,1-4H3
InChIKeyRCHPJACJENQZLV-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373
2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide
CID 79957292
2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451177
5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79461229
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
2-chloro-5-[(4,4-dimethylthian-3-yl)amino]-N,N-dimethylbenzamide
CID 79954819
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (CID 43709780) is 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is CC1CCCC(C)C1Nc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The InChIKey is RCHPJACJENQZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-11-6-5-7-12(2)16(11)19-13-8-9-15(18)14(10-13)17(21)20(3)4/h8-12,16,19H,5-7H2,1-4H3.
What are the key properties of 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43709780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).