3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide

C15H20F2N2O2 — CID 79758963

IUPAC3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCC2(O)CCCCCC2)c1F
InChIInChI=1S/C15H20F2N2O2/c16-10-5-6-11(18)13(17)12(10)14(20)19-9-15(21)7-3-1-2-4-8-15/h5-6,21H,1-4,7-9,18H2,(H,19,20)
InChIKeyDGIFLVIBBFMVAG-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.36
Rot. Bonds3

About 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide

3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 79758963) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID79758963
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCC2(O)CCCCCC2)c1F
InChIInChI=1S/C15H20F2N2O2/c16-10-5-6-11(18)13(17)12(10)14(20)19-9-15(21)7-3-1-2-4-8-15/h5-6,21H,1-4,7-9,18H2,(H,19,20)
InChIKeyDGIFLVIBBFMVAG-UHFFFAOYSA-N
XLogP2.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123538
3-amino-2,6-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099123
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 105381317
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 79758963) is 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide is Nc1ccc(F)c(C(=O)NCC2(O)CCCCCC2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is DGIFLVIBBFMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-10-5-6-11(18)13(17)12(10)14(20)19-9-15(21)7-3-1-2-4-8-15/h5-6,21H,1-4,7-9,18H2,(H,19,20).
What are the key properties of 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 79758963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).