4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline

C14H12BrClN2 — CID 131740065

IUPAC4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H12BrClN2/c1-10(13-4-2-3-5-14(13)16)17-18-12-8-6-11(15)7-9-12/h2-9,18H,1H3/b17-10+
InChIKeyNJPXXMVNGJCGCK-LICLKQGHSA-N
MW323.62 g/mol
LogP4.94
Rot. Bonds3

About 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline

4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline (PubChem CID 131740065) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline
PubChem CID131740065
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC Name4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H12BrClN2/c1-10(13-4-2-3-5-14(13)16)17-18-12-8-6-11(15)7-9-12/h2-9,18H,1H3/b17-10+
InChIKeyNJPXXMVNGJCGCK-LICLKQGHSA-N
XLogP4.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-[(2Z)-2-[1-(2-chlorophenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409654
5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
CID 7416836
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
CID 137308244
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137139850
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline?
The IUPAC name of 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline (CID 131740065) is 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline.
What is the SMILES notation for 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline?
The canonical SMILES for 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline is C/C(=N\Nc1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline?
The InChIKey is NJPXXMVNGJCGCK-LICLKQGHSA-N. The full InChI is InChI=1S/C14H12BrClN2/c1-10(13-4-2-3-5-14(13)16)17-18-12-8-6-11(15)7-9-12/h2-9,18H,1H3/b17-10+.
What are the key properties of 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline?
4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline has a molecular weight of 323.62 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 131740065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).