N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide

C9H6BrClF2N2O2 — CID 107614820

IUPACN-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
SMILESO=C(CCl)NC(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C9H6BrClF2N2O2/c10-4-1-6(13)7(2-5(4)12)14-9(17)15-8(16)3-11/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyGQBVRSUZOBPINJ-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.61
Rot. Bonds2

About N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide

N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide (PubChem CID 107614820) has the molecular formula C9H6BrClF2N2O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
PubChem CID107614820
Molecular FormulaC9H6BrClF2N2O2
Molecular Weight327.51 g/mol
Exact Mass325.93
IUPAC NameN-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
SMILESO=C(CCl)NC(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C9H6BrClF2N2O2/c10-4-1-6(13)7(2-5(4)12)14-9(17)15-8(16)3-11/h1-2H,3H2,(H2,14,15,16,17)
InChIKeyGQBVRSUZOBPINJ-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.61
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-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
CID 62814110
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
3-[(4-bromo-2,5-difluorophenyl)carbamoylamino]propanoic acid
CID 107614346
2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
CID 61475658
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
CID 107612572
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
N-(4-bromo-2,5-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 103842634
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide?
The IUPAC name of N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide (CID 107614820) is N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide.
What is the SMILES notation for N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide?
The canonical SMILES for N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide is O=C(CCl)NC(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide?
The InChIKey is GQBVRSUZOBPINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2N2O2/c10-4-1-6(13)7(2-5(4)12)14-9(17)15-8(16)3-11/h1-2H,3H2,(H2,14,15,16,17).
What are the key properties of N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide?
N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide has a molecular weight of 327.51 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide is sourced from PubChem (CID 107614820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).