2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide

C9H6Cl3FN2O2 — CID 83079339

IUPAC2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H6Cl3FN2O2/c10-3-7(16)14-9(17)15-8-5(11)1-4(13)2-6(8)12/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyOIBZDEZEXJNHKN-UHFFFAOYSA-N
MW299.52 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide

2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide (PubChem CID 83079339) has the molecular formula C9H6Cl3FN2O2 and a molecular weight of 299.52 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
PubChem CID83079339
Molecular FormulaC9H6Cl3FN2O2
Molecular Weight299.52 g/mol
Exact Mass297.95
IUPAC Name2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H6Cl3FN2O2/c10-3-7(16)14-9(17)15-8-5(11)1-4(13)2-6(8)12/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyOIBZDEZEXJNHKN-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
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-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
CID 62814110
2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
CID 79049833
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
CID 116657360
5-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]pentanoic acid
CID 83079136
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
N-(2,6-dichloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 83078558
3-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83077990
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide (CID 83079339) is 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide?
The InChIKey is OIBZDEZEXJNHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3FN2O2/c10-3-7(16)14-9(17)15-8-5(11)1-4(13)2-6(8)12/h1-2H,3H2,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide?
2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide has a molecular weight of 299.52 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 83079339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).