2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide

C21H21ClF2N2O — CID 58852363

IUPAC2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide
SMILESCN(C)C1CC=C(c2cccc(NC(=O)c3c(F)cccc3Cl)c2F)CC1
InChIInChI=1S/C21H21ClF2N2O/c1-26(2)14-11-9-13(10-12-14)15-5-3-8-18(20(15)24)25-21(27)19-16(22)6-4-7-17(19)23/h3-9,14H,10-12H2,1-2H3,(H,25,27)
InChIKeyIMWURJOXRIYVKF-UHFFFAOYSA-N
MW390.86 g/mol
LogP5.37
Rot. Bonds4

About 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide

2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide (PubChem CID 58852363) has the molecular formula C21H21ClF2N2O and a molecular weight of 390.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide
PubChem CID58852363
Molecular FormulaC21H21ClF2N2O
Molecular Weight390.86 g/mol
Exact Mass390.13
IUPAC Name2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide
SMILESCN(C)C1CC=C(c2cccc(NC(=O)c3c(F)cccc3Cl)c2F)CC1
InChIInChI=1S/C21H21ClF2N2O/c1-26(2)14-11-9-13(10-12-14)15-5-3-8-18(20(15)24)25-21(27)19-16(22)6-4-7-17(19)23/h3-9,14H,10-12H2,1-2H3,(H,25,27)
InChIKeyIMWURJOXRIYVKF-UHFFFAOYSA-N
XLogP5.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.86
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[6-[4-(dimethylamino)cyclohexen-1-yl]-2-pyridinyl]-6-fluorobenzamide;dihydrochloride
CID 69350870
2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide
CID 82240061
2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66939187
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide
CID 144575015
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113093094
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide (CID 58852363) is 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide is CN(C)C1CC=C(c2cccc(NC(=O)c3c(F)cccc3Cl)c2F)CC1.
What is the InChIKey of 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide?
The InChIKey is IMWURJOXRIYVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O/c1-26(2)14-11-9-13(10-12-14)15-5-3-8-18(20(15)24)25-21(27)19-16(22)6-4-7-17(19)23/h3-9,14H,10-12H2,1-2H3,(H,25,27).
What are the key properties of 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide?
2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide has a molecular weight of 390.86 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide is sourced from PubChem (CID 58852363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).