N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline

C13H9ClF2N2 — CID 169382591

IUPACN-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
SMILESFc1cc(F)c(Cl)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H9ClF2N2/c14-13-9(6-10(15)7-12(13)16)8-17-18-11-4-2-1-3-5-11/h1-8,18H
InChIKeyUYEWLAZFBWQHEY-UHFFFAOYSA-N
MW266.68 g/mol
LogP4.06
Rot. Bonds3

About N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline

N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline (PubChem CID 169382591) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
PubChem CID169382591
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC NameN-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
SMILESFc1cc(F)c(Cl)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H9ClF2N2/c14-13-9(6-10(15)7-12(13)16)8-17-18-11-4-2-1-3-5-11/h1-8,18H
InChIKeyUYEWLAZFBWQHEY-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
CID 169384176
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
CID 169381904
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
CID 169381828

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline (CID 169382591) is N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline is Fc1cc(F)c(Cl)c(C=NNc2ccccc2)c1.
What is the InChIKey of N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline?
The InChIKey is UYEWLAZFBWQHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c14-13-9(6-10(15)7-12(13)16)8-17-18-11-4-2-1-3-5-11/h1-8,18H.
What are the key properties of N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline?
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline 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-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 169382591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).