4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline

C15H13ClF2N2O2 — CID 9015386

IUPAC4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C15H13ClF2N2O2/c1-21-13-7-2-10(8-14(13)22-15(17)18)9-19-20-12-5-3-11(16)4-6-12/h2-9,15,20H,1H3/b19-9-
InChIKeyVXVZEVUQVBODMC-OCKHKDLRSA-N
MW326.73 g/mol
LogP4.40
Rot. Bonds6

About 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline

4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline (PubChem CID 9015386) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
PubChem CID9015386
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC Name4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C15H13ClF2N2O2/c1-21-13-7-2-10(8-14(13)22-15(17)18)9-19-20-12-5-3-11(16)4-6-12/h2-9,15,20H,1H3/b19-9-
InChIKeyVXVZEVUQVBODMC-OCKHKDLRSA-N
XLogP4.40
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9069889
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
CID 9059368
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
CID 8972803
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
CID 110506062
[2-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 110340983
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline (CID 9015386) is 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline is COc1ccc(/C=N\Nc2ccc(Cl)cc2)cc1OC(F)F.
What is the InChIKey of 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
The InChIKey is VXVZEVUQVBODMC-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c1-21-13-7-2-10(8-14(13)22-15(17)18)9-19-20-12-5-3-11(16)4-6-12/h2-9,15,20H,1H3/b19-9-.
What are the key properties of 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline has a molecular weight of 326.73 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 9015386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).