N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide

C13H16ClFN2O — CID 114024825

IUPACN-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyVYIBMOMBHMWMRL-VXGBXAGGSA-N
MW270.73 g/mol
LogP2.48
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide

N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide (PubChem CID 114024825) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
PubChem CID114024825
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyVYIBMOMBHMWMRL-VXGBXAGGSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
CID 81295465
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-(2-carbamothioylcyclopentyl)-4-chloro-3-fluorobenzamide
CID 107987795
N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 63251637
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-(2-carbamoylcyclohexyl)-3-chloro-4-fluorobenzamide
CID 122147253

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide (CID 114024825) is N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide is N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide?
The InChIKey is VYIBMOMBHMWMRL-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide?
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide has a molecular weight of 270.73 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 114024825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).