2-chloro-2-(3-fluorophenyl)acetamide

C8H7ClFNO — CID 62225850

IUPAC2-chloro-2-(3-fluorophenyl)acetamide
SMILESNC(=O)C(Cl)c1cccc(F)c1
InChIInChI=1S/C8H7ClFNO/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7H,(H2,11,12)
InChIKeyZSQKWGKFPAPCQT-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.59
Rot. Bonds2

About 2-chloro-2-(3-fluorophenyl)acetamide

2-chloro-2-(3-fluorophenyl)acetamide (PubChem CID 62225850) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-chloro-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(3-fluorophenyl)acetamide
PubChem CID62225850
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name2-chloro-2-(3-fluorophenyl)acetamide
SMILESNC(=O)C(Cl)c1cccc(F)c1
InChIInChI=1S/C8H7ClFNO/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7H,(H2,11,12)
InChIKeyZSQKWGKFPAPCQT-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
4,4-bis(3-fluorophenyl)-2-oxobutanamide
CID 59093514
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
CID 62226246
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
fluoro 2-fluoro-2-(3-fluorophenyl)acetate
CID 174649887
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-fluorophenyl)acetamide?
The IUPAC name of 2-chloro-2-(3-fluorophenyl)acetamide (CID 62225850) is 2-chloro-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-2-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-chloro-2-(3-fluorophenyl)acetamide is NC(=O)C(Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-2-(3-fluorophenyl)acetamide?
The InChIKey is ZSQKWGKFPAPCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7H,(H2,11,12).
What are the key properties of 2-chloro-2-(3-fluorophenyl)acetamide?
2-chloro-2-(3-fluorophenyl)acetamide has a molecular weight of 187.60 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 62225850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).