4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline

C9H10BrClN2 — CID 143308609

IUPAC4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1cc(Br)cc(Cl)c1NC
InChIInChI=1S/C9H10BrClN2/c1-5(12)7-3-6(10)4-8(11)9(7)13-2/h3-4,12-13H,1-2H3/b12-5+
InChIKeyWIPQFEABNNUUEX-LFYBBSHMSA-N
MW261.55 g/mol
LogP3.53
Rot. Bonds2

About 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline

4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline (PubChem CID 143308609) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline.

Molecular Properties

Compound Name4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
PubChem CID143308609
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC Name4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1cc(Br)cc(Cl)c1NC
InChIInChI=1S/C9H10BrClN2/c1-5(12)7-3-6(10)4-8(11)9(7)13-2/h3-4,12-13H,1-2H3/b12-5+
InChIKeyWIPQFEABNNUUEX-LFYBBSHMSA-N
XLogP3.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
(4-bromo-2-ethanimidoylanilino)thallium;ethane
CID 144844659
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511408
1-(3-bromo-5-methylphenyl)ethanimine
CID 90945555
3-chloro-2-ethanimidoyl-5-methylbenzenethiol
CID 176565894
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
4-bromo-2-chloro-N-iodo-6-methylaniline
CID 163457566
3-chloro-2-ethanimidoyl-5-methylbenzenethiol;ethane
CID 176565893
1-(4-bromo-2-nitrophenyl)ethanimine
CID 90202118

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline?
The IUPAC name of 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline (CID 143308609) is 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline.
What is the SMILES notation for 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline?
The canonical SMILES for 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline is [H]/N=C(\C)c1cc(Br)cc(Cl)c1NC.
What is the InChIKey of 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline?
The InChIKey is WIPQFEABNNUUEX-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10BrClN2/c1-5(12)7-3-6(10)4-8(11)9(7)13-2/h3-4,12-13H,1-2H3/b12-5+.
What are the key properties of 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline?
4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline has a molecular weight of 261.55 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 4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline is sourced from PubChem (CID 143308609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).