2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide

C11H12Cl2FNO2 — CID 146098485

IUPAC2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
SMILESCC(NC(=O)CCl)C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H12Cl2FNO2/c1-6(15-10(16)5-12)11(17)7-2-8(13)4-9(14)3-7/h2-4,6,11,17H,5H2,1H3,(H,15,16)
InChIKeyFBJSQTNPEVGEOU-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.26
Rot. Bonds4

About 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide

2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide (PubChem CID 146098485) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
PubChem CID146098485
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Name2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
SMILESCC(NC(=O)CCl)C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H12Cl2FNO2/c1-6(15-10(16)5-12)11(17)7-2-8(13)4-9(14)3-7/h2-4,6,11,17H,5H2,1H3,(H,15,16)
InChIKeyFBJSQTNPEVGEOU-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide
CID 154856898
N-[4-(3-chloro-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882627
methyl 2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 114454668
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]pentanoic acid
CID 114454680
1-(3-chloro-5-fluorophenyl)-3-methylbutan-1-ol
CID 114454018
3-acetamido-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 114453726
2-(3-chloro-5-fluorophenyl)-2-(propylamino)acetic acid
CID 114453626
2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol
CID 114455038
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide (CID 146098485) is 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide is CC(NC(=O)CCl)C(O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is FBJSQTNPEVGEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-6(15-10(16)5-12)11(17)7-2-8(13)4-9(14)3-7/h2-4,6,11,17H,5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 280.13 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 146098485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).