2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide

C17H24FNO2 — CID 111433244

IUPAC2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
SMILESCC(C(=O)NCC1(O)CCCCCC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-13(14-8-4-5-9-15(14)18)16(20)19-12-17(21)10-6-2-3-7-11-17/h4-5,8-9,13,21H,2-3,6-7,10-12H2,1H3,(H,19,20)
InChIKeyDYNYAMTZFXGLPI-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide

2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide (PubChem CID 111433244) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
PubChem CID111433244
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
SMILESCC(C(=O)NCC1(O)CCCCCC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-13(14-8-4-5-9-15(14)18)16(20)19-12-17(21)10-6-2-3-7-11-17/h4-5,8-9,13,21H,2-3,6-7,10-12H2,1H3,(H,19,20)
InChIKeyDYNYAMTZFXGLPI-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 97060565
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209
2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331233
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide
CID 167843396
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 125441973
N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
CID 64868042
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide (CID 111433244) is 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide is CC(C(=O)NCC1(O)CCCCCC1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
The InChIKey is DYNYAMTZFXGLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13(14-8-4-5-9-15(14)18)16(20)19-12-17(21)10-6-2-3-7-11-17/h4-5,8-9,13,21H,2-3,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide has a molecular weight of 293.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide is sourced from PubChem (CID 111433244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).