2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide

C9H6Cl4N2O2 — CID 43146050

IUPAC2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H6Cl4N2O2/c10-3-8(16)15-9(17)14-7-2-5(12)4(11)1-6(7)13/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyQZNDFHWDCUPGKH-UHFFFAOYSA-N
MW315.97 g/mol
LogP3.53
Rot. Bonds2

About 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide

2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide (PubChem CID 43146050) has the molecular formula C9H6Cl4N2O2 and a molecular weight of 315.97 g/mol. Its IUPAC name is 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
PubChem CID43146050
Molecular FormulaC9H6Cl4N2O2
Molecular Weight315.97 g/mol
Exact Mass313.92
IUPAC Name2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H6Cl4N2O2/c10-3-8(16)15-9(17)14-7-2-5(12)4(11)1-6(7)13/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyQZNDFHWDCUPGKH-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.97
LogP ≤ 53.53
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

2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317
1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea
CID 119026702
2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
CID 83079339
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
CID 62814110
2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
CID 61475658
2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
CID 107614820
N-(2,4,5-trichlorophenyl)carbamoyl fluoride
CID 88834556
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide (CID 43146050) is 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide?
The InChIKey is QZNDFHWDCUPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl4N2O2/c10-3-8(16)15-9(17)14-7-2-5(12)4(11)1-6(7)13/h1-2H,3H2,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide?
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide has a molecular weight of 315.97 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 43146050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).