N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide

C11H12Cl2FNO2 — CID 174377159

IUPACN-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide
SMILESCC(=O)NC(F)(c1ccccc1)C(Cl)(Cl)CO
InChIInChI=1S/C11H12Cl2FNO2/c1-8(17)15-11(14,10(12,13)7-16)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyKYKGUAOVRFXFPC-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.11
Rot. Bonds4

About N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide

N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide (PubChem CID 174377159) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide.

Molecular Properties

Compound NameN-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide
PubChem CID174377159
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC NameN-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide
SMILESCC(=O)NC(F)(c1ccccc1)C(Cl)(Cl)CO
InChIInChI=1S/C11H12Cl2FNO2/c1-8(17)15-11(14,10(12,13)7-16)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyKYKGUAOVRFXFPC-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115619743
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864
2-chloro-2-fluoro-N-methyl-2-phenylacetamide
CID 131086216
2-chloro-2-phenylpropan-1-ol
CID 21408065
N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
CID 134105964
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
CID 2817483
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
1-(2-chloroethyl)-3-(1,1,1-trifluoro-2-phenylpropan-2-yl)urea
CID 57218547

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide?
The IUPAC name of N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide (CID 174377159) is N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide.
What is the SMILES notation for N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide?
The canonical SMILES for N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide is CC(=O)NC(F)(c1ccccc1)C(Cl)(Cl)CO.
What is the InChIKey of N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide?
The InChIKey is KYKGUAOVRFXFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-8(17)15-11(14,10(12,13)7-16)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H,15,17).
What are the key properties of N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide?
N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide has a molecular weight of 280.13 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloro-1-fluoro-3-hydroxy-1-phenylpropyl)acetamide is sourced from PubChem (CID 174377159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).