3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide

C9H6ClF4NO2 — CID 81435190

IUPAC3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H6ClF4NO2/c10-6-3-5(1-2-7(6)11)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyHNHHPDXJZKQEHX-UHFFFAOYSA-N
MW271.60 g/mol
LogP2.70
Rot. Bonds3

About 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide

3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 81435190) has the molecular formula C9H6ClF4NO2 and a molecular weight of 271.60 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID81435190
Molecular FormulaC9H6ClF4NO2
Molecular Weight271.60 g/mol
Exact Mass271.00
IUPAC Name3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H6ClF4NO2/c10-6-3-5(1-2-7(6)11)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyHNHHPDXJZKQEHX-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81342910
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717
1-(3-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1,3-dione
CID 12921697
N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
CID 81344043
3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340679
6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81340039

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide (CID 81435190) is 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide is O=C(NOCC(F)(F)F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is HNHHPDXJZKQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO2/c10-6-3-5(1-2-7(6)11)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide?
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 271.60 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 81435190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).