N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline

C14H12BrFN2 — CID 9060518

IUPACN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
SMILESCc1cccc(N/N=C\c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H12BrFN2/c1-10-3-2-4-12(7-10)18-17-9-11-5-6-14(16)13(15)8-11/h2-9,18H,1H3/b17-9-
InChIKeyUOLSFIZYMZDPFG-MFOYZWKCSA-N
MW307.17 g/mol
LogP4.34
Rot. Bonds3

About N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline (PubChem CID 9060518) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
PubChem CID9060518
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
SMILESCc1cccc(N/N=C\c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H12BrFN2/c1-10-3-2-4-12(7-10)18-17-9-11-5-6-14(16)13(15)8-11/h2-9,18H,1H3/b17-9-
InChIKeyUOLSFIZYMZDPFG-MFOYZWKCSA-N
XLogP4.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.34
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'}

Analyze N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline
CID 9076261
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060487
2-bromo-6-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 5068133
N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841664
3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline
CID 9060472
1-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256332
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
ethane;N-[(Z)-ethylideneamino]-3-methylaniline
CID 142906604
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
CID 8972803
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
CID 9060725
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline?
The IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline (CID 9060518) is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline.
What is the SMILES notation for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline?
The canonical SMILES for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline is Cc1cccc(N/N=C\c2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline?
The InChIKey is UOLSFIZYMZDPFG-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12BrFN2/c1-10-3-2-4-12(7-10)18-17-9-11-5-6-14(16)13(15)8-11/h2-9,18H,1H3/b17-9-.
What are the key properties of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline?
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline has a molecular weight of 307.17 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline is sourced from PubChem (CID 9060518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).