N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide

C10H10ClF2NO2 — CID 138485861

IUPACN-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)ccc(C(O)CCl)c1F
InChIInChI=1S/C10H10ClF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3,8,16H,4H2,1H3,(H,14,15)
InChIKeyTVTPHFGTHUKIKJ-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.20
Rot. Bonds3

About N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide

N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide (PubChem CID 138485861) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide
PubChem CID138485861
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC NameN-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)ccc(C(O)CCl)c1F
InChIInChI=1S/C10H10ClF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3,8,16H,4H2,1H3,(H,14,15)
InChIKeyTVTPHFGTHUKIKJ-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.20
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

N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide
CID 138473182
N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
CID 138485796
3-acetamido-2,4-difluorobenzamide
CID 154632543
N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide
CID 138485782
N-(2,6-difluoro-3-formamidophenyl)acetamide
CID 168651959
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
N-(2,3,4,6-tetrafluorophenyl)acetamide
CID 130006271
N-(2,3,6-trifluorophenyl)carbamoyl chloride
CID 135378921
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
N-[2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 166086414
(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001577
N-[3,4-dihydroxy-4-(2,3,4-trifluorophenyl)butyl]acetamide
CID 171882871

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide?
The IUPAC name of N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide (CID 138485861) is N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide.
What is the SMILES notation for N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide?
The canonical SMILES for N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide is CC(=O)Nc1c(F)ccc(C(O)CCl)c1F.
What is the InChIKey of N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide?
The InChIKey is TVTPHFGTHUKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3,8,16H,4H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide?
N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide has a molecular weight of 249.64 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide is sourced from PubChem (CID 138485861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).