N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline

C13H10BrClN2 — CID 19655713

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline
SMILESClc1ccccc1N/N=C/c1cccc(Br)c1
InChIInChI=1S/C13H10BrClN2/c14-11-5-3-4-10(8-11)9-16-17-13-7-2-1-6-12(13)15/h1-9,17H/b16-9+
InChIKeyLMEVMZYOYSVKRG-CXUHLZMHSA-N
MW309.59 g/mol
LogP4.55
Rot. Bonds3

About N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline

N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline (PubChem CID 19655713) has the molecular formula C13H10BrClN2 and a molecular weight of 309.59 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline
PubChem CID19655713
Molecular FormulaC13H10BrClN2
Molecular Weight309.59 g/mol
Exact Mass307.97
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline
SMILESClc1ccccc1N/N=C/c1cccc(Br)c1
InChIInChI=1S/C13H10BrClN2/c14-11-5-3-4-10(8-11)9-16-17-13-7-2-1-6-12(13)15/h1-9,17H/b16-9+
InChIKeyLMEVMZYOYSVKRG-CXUHLZMHSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 54.55
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

5-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 8002358
N-[(Z)-(3-bromophenyl)methylideneamino]-3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 28985211
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9069889
N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide
CID 3981811
[(E)-(3-bromophenyl)methylideneamino]thiourea
CID 7695054
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(3-bromophenyl)methylideneamino]methanesulfonamide
CID 867189
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733007

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline (CID 19655713) is N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline is Clc1ccccc1N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline?
The InChIKey is LMEVMZYOYSVKRG-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H10BrClN2/c14-11-5-3-4-10(8-11)9-16-17-13-7-2-1-6-12(13)15/h1-9,17H/b16-9+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline?
N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline has a molecular weight of 309.59 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline is sourced from PubChem (CID 19655713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).