N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide

C14H18F2N2O — CID 106123375

IUPACN-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
SMILESNC1CCCC(CNC(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-2-5-11(13(12)16)14(19)18-8-9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7-8,17H2,(H,18,19)
InChIKeyVWCAVCQJFQYLAV-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.21
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide

N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide (PubChem CID 106123375) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
PubChem CID106123375
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
SMILESNC1CCCC(CNC(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-2-5-11(13(12)16)14(19)18-8-9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7-8,17H2,(H,18,19)
InChIKeyVWCAVCQJFQYLAV-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide
CID 106123128
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide (CID 106123375) is N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide is NC1CCCC(CNC(=O)c2cccc(F)c2F)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide?
The InChIKey is VWCAVCQJFQYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-6-2-5-11(13(12)16)14(19)18-8-9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7-8,17H2,(H,18,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide?
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 106123375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).