2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide

C10H5Cl4FN2O2 — CID 2780073

IUPAC2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)NC(Cl)=C(Cl)Cl
InChIInChI=1S/C10H5Cl4FN2O2/c11-4-2-1-3-5(15)6(4)9(18)17-10(19)16-8(14)7(12)13/h1-3H,(H2,16,17,18,19)
InChIKeyHLJSQTJIPIXGPS-UHFFFAOYSA-N
MW345.97 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide

2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide (PubChem CID 2780073) has the molecular formula C10H5Cl4FN2O2 and a molecular weight of 345.97 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
PubChem CID2780073
Molecular FormulaC10H5Cl4FN2O2
Molecular Weight345.97 g/mol
Exact Mass343.91
IUPAC Name2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)NC(Cl)=C(Cl)Cl
InChIInChI=1S/C10H5Cl4FN2O2/c11-4-2-1-3-5(15)6(4)9(18)17-10(19)16-8(14)7(12)13/h1-3H,(H2,16,17,18,19)
InChIKeyHLJSQTJIPIXGPS-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.97
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
CID 2797979
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
CID 6409882
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270
2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 134087950
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanedioic acid
CID 113226112
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide (CID 2780073) is 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide is O=C(NC(=O)c1c(F)cccc1Cl)NC(Cl)=C(Cl)Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide?
The InChIKey is HLJSQTJIPIXGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4FN2O2/c11-4-2-1-3-5(15)6(4)9(18)17-10(19)16-8(14)7(12)13/h1-3H,(H2,16,17,18,19).
What are the key properties of 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide?
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide has a molecular weight of 345.97 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide is sourced from PubChem (CID 2780073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).