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

C15H13ClF2N2O2 — CID 9069889

IUPAC2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2ccccc2Cl)cc1OC(F)F
InChIInChI=1S/C15H13ClF2N2O2/c1-21-13-7-6-10(8-14(13)22-15(17)18)9-19-20-12-5-3-2-4-11(12)16/h2-9,15,20H,1H3/b19-9-
InChIKeyJTFZHBYQBSJBPE-OCKHKDLRSA-N
MW326.73 g/mol
LogP4.40
Rot. Bonds6

About 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline

2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline (PubChem CID 9069889) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
PubChem CID9069889
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC Name2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2ccccc2Cl)cc1OC(F)F
InChIInChI=1S/C15H13ClF2N2O2/c1-21-13-7-6-10(8-14(13)22-15(17)18)9-19-20-12-5-3-2-4-11(12)16/h2-9,15,20H,1H3/b19-9-
InChIKeyJTFZHBYQBSJBPE-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-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386
5-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 8002358
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 3976623
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline
CID 4612061
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
4-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-2-nitroaniline
CID 9059090
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline (CID 9069889) is 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline is COc1ccc(/C=N\Nc2ccccc2Cl)cc1OC(F)F.
What is the InChIKey of 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
The InChIKey is JTFZHBYQBSJBPE-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c1-21-13-7-6-10(8-14(13)22-15(17)18)9-19-20-12-5-3-2-4-11(12)16/h2-9,15,20H,1H3/b19-9-.
What are the key properties of 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline?
2-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 2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 9069889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).