N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide

C9H6BrCl3N2O2 — CID 1376669

IUPACN-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide
SMILESO=C(NC(=O)C(Cl)(Cl)Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C9H6BrCl3N2O2/c10-5-1-3-6(4-2-5)14-8(17)15-7(16)9(11,12)13/h1-4H,(H2,14,15,16,17)
InChIKeyUGJNCGYWWKSSMB-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.47
Rot. Bonds1

About N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide

N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide (PubChem CID 1376669) has the molecular formula C9H6BrCl3N2O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide
PubChem CID1376669
Molecular FormulaC9H6BrCl3N2O2
Molecular Weight360.42 g/mol
Exact Mass357.87
IUPAC NameN-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide
SMILESO=C(NC(=O)C(Cl)(Cl)Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C9H6BrCl3N2O2/c10-5-1-3-6(4-2-5)14-8(17)15-7(16)9(11,12)13/h1-4H,(H2,14,15,16,17)
InChIKeyUGJNCGYWWKSSMB-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.47
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

N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide
CID 2313009
N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
(4-bromophenyl)urea
CID 16074
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-(4-bromobenzenecarbothioyl)-3-phenylurea
CID 5007969
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide?
The IUPAC name of N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide (CID 1376669) is N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide?
The canonical SMILES for N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide is O=C(NC(=O)C(Cl)(Cl)Cl)Nc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide?
The InChIKey is UGJNCGYWWKSSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl3N2O2/c10-5-1-3-6(4-2-5)14-8(17)15-7(16)9(11,12)13/h1-4H,(H2,14,15,16,17).
What are the key properties of N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide?
N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide has a molecular weight of 360.42 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 1376669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).