4-bromo-N-(2,2-dichloroethylidene)benzamide

C9H6BrCl2NO — CID 175564438

IUPAC4-bromo-N-(2,2-dichloroethylidene)benzamide
SMILESO=C(/N=C/C(Cl)Cl)c1ccc(Br)cc1
InChIInChI=1S/C9H6BrCl2NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5,8H/b13-5+
InChIKeyZYCUUUMRFWWOIR-WLRTZDKTSA-N
MW294.96 g/mol
LogP3.46
Rot. Bonds2

About 4-bromo-N-(2,2-dichloroethylidene)benzamide

4-bromo-N-(2,2-dichloroethylidene)benzamide (PubChem CID 175564438) has the molecular formula C9H6BrCl2NO and a molecular weight of 294.96 g/mol. Its IUPAC name is 4-bromo-N-(2,2-dichloroethylidene)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-dichloroethylidene)benzamide
PubChem CID175564438
Molecular FormulaC9H6BrCl2NO
Molecular Weight294.96 g/mol
Exact Mass292.90
IUPAC Name4-bromo-N-(2,2-dichloroethylidene)benzamide
SMILESO=C(/N=C/C(Cl)Cl)c1ccc(Br)cc1
InChIInChI=1S/C9H6BrCl2NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5,8H/b13-5+
InChIKeyZYCUUUMRFWWOIR-WLRTZDKTSA-N
XLogP3.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.96
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-bromophenyl)iminobenzamide
CID 12065809
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1-(4-bromophenyl)-3-hydroxyiminopropan-1-one
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(2Z)-1-(4-bromophenyl)-2-hydroxyiminoethanone
CID 11356618
1-(4-bromophenyl)-2-(2-fluoro-4-pyridinyl)-2-nitrosoethanone
CID 91562524
2-[(Z)-3-(4-bromophenyl)-3-chloroprop-2-enylidene]propanedioic acid
CID 170873805
4-(4-bromophenyl)-3-chloro-4-oxobutanoic acid
CID 82124480
4-bromobenzoic acid;copper
CID 67824318
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-dichloroethylidene)benzamide?
The IUPAC name of 4-bromo-N-(2,2-dichloroethylidene)benzamide (CID 175564438) is 4-bromo-N-(2,2-dichloroethylidene)benzamide.
What is the SMILES notation for 4-bromo-N-(2,2-dichloroethylidene)benzamide?
The canonical SMILES for 4-bromo-N-(2,2-dichloroethylidene)benzamide is O=C(/N=C/C(Cl)Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,2-dichloroethylidene)benzamide?
The InChIKey is ZYCUUUMRFWWOIR-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H6BrCl2NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5,8H/b13-5+.
What are the key properties of 4-bromo-N-(2,2-dichloroethylidene)benzamide?
4-bromo-N-(2,2-dichloroethylidene)benzamide has a molecular weight of 294.96 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-dichloroethylidene)benzamide is sourced from PubChem (CID 175564438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).