2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide

C9H6ClF3N2O2 — CID 62814110

IUPAC2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C9H6ClF3N2O2/c10-3-7(16)15-9(17)14-6-2-4(11)1-5(12)8(6)13/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyYYKCLYLUBSUNBZ-UHFFFAOYSA-N
MW266.61 g/mol
LogP1.99
Rot. Bonds2

About 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide

2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide (PubChem CID 62814110) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
PubChem CID62814110
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C9H6ClF3N2O2/c10-3-7(16)15-9(17)14-6-2-4(11)1-5(12)8(6)13/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyYYKCLYLUBSUNBZ-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
CID 107614820
2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
CID 83079339
2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
CID 79049833
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
3-amino-3-sulfanylidene-N-(2,3,5-trifluorophenyl)propanamide
CID 62814231
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
2-methyl-3-[(2,3,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 62813246
2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 62810482
1-[(3-methyloxetan-3-yl)methyl]-3-(2,3,5-trifluorophenyl)urea
CID 72859620
N-(2,3,5-trifluorophenyl)carbamothioyl chloride
CID 135379068
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813
2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 107028637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide (CID 62814110) is 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide?
The InChIKey is YYKCLYLUBSUNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2/c10-3-7(16)15-9(17)14-6-2-4(11)1-5(12)8(6)13/h1-2H,3H2,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide?
2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide has a molecular weight of 266.61 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 62814110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).