2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide

C16H22ClFN2O — CID 117045024

IUPAC2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2cc(F)c(C)cc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-10-8-14(17)13(9-15(10)18)16(21)20(3)12-6-4-11(19-2)5-7-12/h8-9,11-12,19H,4-7H2,1-3H3
InChIKeyZWCRBHDGTHQDJR-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.39
Rot. Bonds3

About 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide

2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 117045024) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID117045024
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2cc(F)c(C)cc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-10-8-14(17)13(9-15(10)18)16(21)20(3)12-6-4-11(19-2)5-7-12/h8-9,11-12,19H,4-7H2,1-3H3
InChIKeyZWCRBHDGTHQDJR-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
N,3,6-trimethyl-N-[4-(methylamino)cyclohexyl]pyridazine-4-carboxamide
CID 104668822
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
2-chloro-5-fluoro-N,4-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 117045006
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
CID 117045039
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
CID 79217283
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide (CID 117045024) is 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(N(C)C(=O)c2cc(F)c(C)cc2Cl)CC1.
What is the InChIKey of 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is ZWCRBHDGTHQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-10-8-14(17)13(9-15(10)18)16(21)20(3)12-6-4-11(19-2)5-7-12/h8-9,11-12,19H,4-7H2,1-3H3.
What are the key properties of 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide?
2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 312.82 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 117045024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).