2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide

C15H18F3NO2 — CID 65123538

IUPAC2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H18F3NO2/c16-10-7-11(17)13(12(18)8-10)14(20)19-9-15(21)5-3-1-2-4-6-15/h7-8,21H,1-6,9H2,(H,19,20)
InChIKeyTUUHZMGOHIDTAK-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.92
Rot. Bonds3

About 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide

2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 65123538) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID65123538
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H18F3NO2/c16-10-7-11(17)13(12(18)8-10)14(20)19-9-15(21)5-3-1-2-4-6-15/h7-8,21H,1-6,9H2,(H,19,20)
InChIKeyTUUHZMGOHIDTAK-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 79758963
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2,4,6-trifluorobenzamide
CID 96526762
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 65123538) is 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(NCC1(O)CCCCCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is TUUHZMGOHIDTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-10-7-11(17)13(12(18)8-10)14(20)19-9-15(21)5-3-1-2-4-6-15/h7-8,21H,1-6,9H2,(H,19,20).
What are the key properties of 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 301.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 65123538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).