2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide

C15H20ClFN2O — CID 79110604

IUPAC2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O/c1-18-11-4-6-12(7-5-11)19(2)15(20)13-8-3-10(17)9-14(13)16/h3,8-9,11-12,18H,4-7H2,1-2H3
InChIKeyFHKAJUPSJGNNAT-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide

2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 79110604) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID79110604
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O/c1-18-11-4-6-12(7-5-11)19(2)15(20)13-8-3-10(17)9-14(13)16/h3,8-9,11-12,18H,4-7H2,1-2H3
InChIKeyFHKAJUPSJGNNAT-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 117045024
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
CID 79217283
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 96508504
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
N,3,6-trimethyl-N-[4-(methylamino)cyclohexyl]pyridazine-4-carboxamide
CID 104668822
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (CID 79110604) is 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(N(C)C(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is FHKAJUPSJGNNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-18-11-4-6-12(7-5-11)19(2)15(20)13-8-3-10(17)9-14(13)16/h3,8-9,11-12,18H,4-7H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 298.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 79110604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).