2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide

C14H18FNO — CID 41097249

IUPAC2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
SMILESC[C@H]1CCC[C@@H](NC(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyNDNWNFDBNWNMQG-WDEREUQCSA-N
MW235.30 g/mol
LogP3.13
Rot. Bonds2

About 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide

2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide (PubChem CID 41097249) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
PubChem CID41097249
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
SMILESC[C@H]1CCC[C@@H](NC(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyNDNWNFDBNWNMQG-WDEREUQCSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64724976
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
CID 62661165
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
2-(ethylamino)-N-(3-methylcyclohexyl)benzamide
CID 62169337
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
3-fluoro-2-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 81498841
2-hydroxy-3-methoxy-N-(3-methylcyclohexyl)benzamide
CID 43244115
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide (CID 41097249) is 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide is C[C@H]1CCC[C@@H](NC(=O)c2ccccc2F)C1.
What is the InChIKey of 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
The InChIKey is NDNWNFDBNWNMQG-WDEREUQCSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide has a molecular weight of 235.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 41097249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).