N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide

C16H21FN2O3 — CID 111331778

IUPACN-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CC2(O)CCCCC2)c1
InChIInChI=1S/C16H21FN2O3/c1-11(20)18-12-5-6-13(17)14(9-12)19-15(21)10-16(22)7-3-2-4-8-16/h5-6,9,22H,2-4,7-8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHXCIONFWKVVBJC-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.81
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide

N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111331778) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111331778
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CC2(O)CCCCC2)c1
InChIInChI=1S/C16H21FN2O3/c1-11(20)18-12-5-6-13(17)14(9-12)19-15(21)10-16(22)7-3-2-4-8-16/h5-6,9,22H,2-4,7-8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHXCIONFWKVVBJC-UHFFFAOYSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537754
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538466
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide
CID 102513772
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
(3S)-N-(3-acetamido-4-fluorophenyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 97436375

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide (CID 111331778) is N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide is CC(=O)Nc1ccc(F)c(NC(=O)CC2(O)CCCCC2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is HXCIONFWKVVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(20)18-12-5-6-13(17)14(9-12)19-15(21)10-16(22)7-3-2-4-8-16/h5-6,9,22H,2-4,7-8,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111331778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).