N-[(1R,3S)-3-fluorocyclohexyl]benzamide

C13H16FNO — CID 162413699

IUPACN-[(1R,3S)-3-fluorocyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@H](F)C1)c1ccccc1
InChIInChI=1S/C13H16FNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyKWQXERYCPCAIGJ-NWDGAFQWSA-N
MW221.28 g/mol
LogP2.70
Rot. Bonds2

About N-[(1R,3S)-3-fluorocyclohexyl]benzamide

N-[(1R,3S)-3-fluorocyclohexyl]benzamide (PubChem CID 162413699) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[(1R,3S)-3-fluorocyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-fluorocyclohexyl]benzamide
PubChem CID162413699
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-[(1R,3S)-3-fluorocyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@H](F)C1)c1ccccc1
InChIInChI=1S/C13H16FNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyKWQXERYCPCAIGJ-NWDGAFQWSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299
N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide
CID 166239999
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-(3-bromocyclopentyl)benzamide
CID 175209749
[(1S,3R)-3-benzamidocyclohexyl]methyl-methylborinic acid
CID 167658164
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
N-piperidin-3-ylbenzamide
CID 22017045
N-[(4S)-azepan-4-yl]benzamide
CID 146196053

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-fluorocyclohexyl]benzamide?
The IUPAC name of N-[(1R,3S)-3-fluorocyclohexyl]benzamide (CID 162413699) is N-[(1R,3S)-3-fluorocyclohexyl]benzamide.
What is the SMILES notation for N-[(1R,3S)-3-fluorocyclohexyl]benzamide?
The canonical SMILES for N-[(1R,3S)-3-fluorocyclohexyl]benzamide is O=C(N[C@@H]1CCC[C@H](F)C1)c1ccccc1.
What is the InChIKey of N-[(1R,3S)-3-fluorocyclohexyl]benzamide?
The InChIKey is KWQXERYCPCAIGJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of N-[(1R,3S)-3-fluorocyclohexyl]benzamide?
N-[(1R,3S)-3-fluorocyclohexyl]benzamide has a molecular weight of 221.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-fluorocyclohexyl]benzamide is sourced from PubChem (CID 162413699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).