2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide

C9H7ClF3NO2 — CID 60807874

IUPAC2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C9H7ClF3NO2/c10-4-8(15)14-5-1-2-7(6(11)3-5)16-9(12)13/h1-3,9H,4H2,(H,14,15)
InChIKeyQDVRQRHRTRJWCO-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide

2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide (PubChem CID 60807874) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
PubChem CID60807874
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C9H7ClF3NO2/c10-4-8(15)14-5-1-2-7(6(11)3-5)16-9(12)13/h1-3,9H,4H2,(H,14,15)
InChIKeyQDVRQRHRTRJWCO-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
CID 166432051
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
CID 51085552
2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
CID 79346339
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
N-[5-bromo-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 166431693
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
CID 106551160
4-(difluoromethoxy)-3-fluoro-N-propylaniline
CID 60942479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide (CID 60807874) is 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide is O=C(CCl)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
The InChIKey is QDVRQRHRTRJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c10-4-8(15)14-5-1-2-7(6(11)3-5)16-9(12)13/h1-3,9H,4H2,(H,14,15).
What are the key properties of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide has a molecular weight of 253.61 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide is sourced from PubChem (CID 60807874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).