4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide

C15H18FN3O — CID 118398490

IUPAC4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2(C#N)CCCCC2)cc1F
InChIInChI=1S/C15H18FN3O/c1-18-14(20)12-6-5-11(9-13(12)16)19-15(10-17)7-3-2-4-8-15/h5-6,9,19H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyZQLUWPUCLRSYFU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.82
Rot. Bonds3

About 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide

4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide (PubChem CID 118398490) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
PubChem CID118398490
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2(C#N)CCCCC2)cc1F
InChIInChI=1S/C15H18FN3O/c1-18-14(20)12-6-5-11(9-13(12)16)19-15(10-17)7-3-2-4-8-15/h5-6,9,19H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyZQLUWPUCLRSYFU-UHFFFAOYSA-N
XLogP2.82
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 167582144
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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide (CID 118398490) is 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(NC2(C#N)CCCCC2)cc1F.
What is the InChIKey of 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide?
The InChIKey is ZQLUWPUCLRSYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-18-14(20)12-6-5-11(9-13(12)16)19-15(10-17)7-3-2-4-8-15/h5-6,9,19H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide?
4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide has a molecular weight of 275.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 118398490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).