1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone

C10H9BrClNO — CID 154970414

IUPAC1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone
SMILESC/C=N/c1cc(Cl)c(Br)cc1C(C)=O
InChIInChI=1S/C10H9BrClNO/c1-3-13-10-5-9(12)8(11)4-7(10)6(2)14/h3-5H,1-2H3/b13-3+
InChIKeyIHALVHIWLHIQDA-QLKAYGNNSA-N
MW274.55 g/mol
LogP4.03
Rot. Bonds2

About 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone

1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone (PubChem CID 154970414) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone
PubChem CID154970414
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC Name1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone
SMILESC/C=N/c1cc(Cl)c(Br)cc1C(C)=O
InChIInChI=1S/C10H9BrClNO/c1-3-13-10-5-9(12)8(11)4-7(10)6(2)14/h3-5H,1-2H3/b13-3+
InChIKeyIHALVHIWLHIQDA-QLKAYGNNSA-N
XLogP4.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-4-bromo-5-chlorobenzaldehyde
CID 171000585
2,5-dibromo-4-chlorobenzoic acid
CID 118497106
5-bromo-2-(4-bromo-2-carboxy-5-chlorophenyl)-4-chlorobenzoic acid
CID 142721146
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-chlorophenyl]ethanone
CID 107658611
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
CID 131292987
1-(5-bromo-2-isocyanatophenyl)ethanone
CID 169352134
4-acetyl-5-bromo-2-chlorobenzonitrile
CID 171001485
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone (CID 154970414) is 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone is C/C=N/c1cc(Cl)c(Br)cc1C(C)=O.
What is the InChIKey of 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone?
The InChIKey is IHALVHIWLHIQDA-QLKAYGNNSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-3-13-10-5-9(12)8(11)4-7(10)6(2)14/h3-5H,1-2H3/b13-3+.
What are the key properties of 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone?
1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone has a molecular weight of 274.55 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone is sourced from PubChem (CID 154970414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).