N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline

C13H9ClF2N2 — CID 5195808

IUPACN-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
SMILESFc1ccc(NN=Cc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H9ClF2N2/c14-10-3-1-2-9(6-10)8-17-18-13-5-4-11(15)7-12(13)16/h1-8,18H
InChIKeyWGNVXQFCFOFEGW-UHFFFAOYSA-N
MW266.68 g/mol
LogP4.06
Rot. Bonds3

About N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline

N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline (PubChem CID 5195808) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
PubChem CID5195808
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
SMILESFc1ccc(NN=Cc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H9ClF2N2/c14-10-3-1-2-9(6-10)8-17-18-13-5-4-11(15)7-12(13)16/h1-8,18H
InChIKeyWGNVXQFCFOFEGW-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 54.06
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-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline 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

2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
CID 3482722
N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine
CID 45481380
N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 4218945
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 135548670
2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
CID 6903041
5-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4654960
N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 134123964
N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline
CID 176675526
3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
CID 3622419
4-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 4288655
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline (CID 5195808) is N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline is Fc1ccc(NN=Cc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline?
The InChIKey is WGNVXQFCFOFEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c14-10-3-1-2-9(6-10)8-17-18-13-5-4-11(15)7-12(13)16/h1-8,18H.
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline?
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline has a molecular weight of 266.68 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline is sourced from PubChem (CID 5195808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).