2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide

C15H20FN3O2 — CID 94059666

IUPAC2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H20FN3O2/c1-9-4-2-3-5-13(9)19-15(21)18-10-6-7-12(16)11(8-10)14(17)20/h6-9,13H,2-5H2,1H3,(H2,17,20)(H2,18,19,21)/t9-,13+/m0/s1
InChIKeyZJMQXBUBQGWNIQ-TVQRCGJNSA-N
MW293.34 g/mol
LogP2.62
Rot. Bonds3

About 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide

2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide (PubChem CID 94059666) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
PubChem CID94059666
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H20FN3O2/c1-9-4-2-3-5-13(9)19-15(21)18-10-6-7-12(16)11(8-10)14(17)20/h6-9,13H,2-5H2,1H3,(H2,17,20)(H2,18,19,21)/t9-,13+/m0/s1
InChIKeyZJMQXBUBQGWNIQ-TVQRCGJNSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(3,4-difluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8669123
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
1-(3-chloro-4-fluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8625546
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
The IUPAC name of 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide (CID 94059666) is 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide is C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
The InChIKey is ZJMQXBUBQGWNIQ-TVQRCGJNSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-9-4-2-3-5-13(9)19-15(21)18-10-6-7-12(16)11(8-10)14(17)20/h6-9,13H,2-5H2,1H3,(H2,17,20)(H2,18,19,21)/t9-,13+/m0/s1.
What are the key properties of 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide has a molecular weight of 293.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide is sourced from PubChem (CID 94059666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).