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

C17H25ClN2O — CID 64763247

IUPAC4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCC1CCC(C)C(Nc2cc(Cl)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C17H25ClN2O/c1-11-5-6-12(2)15(9-11)19-16-10-13(18)7-8-14(16)17(21)20(3)4/h7-8,10-12,15,19H,5-6,9H2,1-4H3
InChIKeyZFDADCUUSOJIIQ-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide

4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (PubChem CID 64763247) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
PubChem CID64763247
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCC1CCC(C)C(Nc2cc(Cl)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C17H25ClN2O/c1-11-5-6-12(2)15(9-11)19-16-10-13(18)7-8-14(16)17(21)20(3)4/h7-8,10-12,15,19H,5-6,9H2,1-4H3
InChIKeyZFDADCUUSOJIIQ-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (CID 64763247) is 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is CC1CCC(C)C(Nc2cc(Cl)ccc2C(=O)N(C)C)C1.
What is the InChIKey of 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The InChIKey is ZFDADCUUSOJIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-11-5-6-12(2)15(9-11)19-16-10-13(18)7-8-14(16)17(21)20(3)4/h7-8,10-12,15,19H,5-6,9H2,1-4H3.
What are the key properties of 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
4-chloro-2-[(2,5-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 4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 64763247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).