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

C16H15ClF2N2O2 — CID 9015411

IUPAC4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
SMILESCCOc1cccc(/C=N\Nc2ccc(Cl)cc2)c1OC(F)F
InChIInChI=1S/C16H15ClF2N2O2/c1-2-22-14-5-3-4-11(15(14)23-16(18)19)10-20-21-13-8-6-12(17)7-9-13/h3-10,16,21H,2H2,1H3/b20-10-
InChIKeyVIWGJPPNENOTGF-JMIUGGIZSA-N
MW340.76 g/mol
LogP4.79
Rot. Bonds7

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

4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline (PubChem CID 9015411) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
PubChem CID9015411
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
SMILESCCOc1cccc(/C=N\Nc2ccc(Cl)cc2)c1OC(F)F
InChIInChI=1S/C16H15ClF2N2O2/c1-2-22-14-5-3-4-11(15(14)23-16(18)19)10-20-21-13-8-6-12(17)7-9-13/h3-10,16,21H,2H2,1H3/b20-10-
InChIKeyVIWGJPPNENOTGF-JMIUGGIZSA-N
XLogP4.79
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.79
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)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
2-(4-chlorophenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9358652
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
3-[(2Z)-2-[[2-(difluoromethoxy)-3-ethoxyphenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784920
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 9215041
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 9073491
2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 169382456
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300369
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9316755

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline (CID 9015411) is 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline is CCOc1cccc(/C=N\Nc2ccc(Cl)cc2)c1OC(F)F.
What is the InChIKey of 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline?
The InChIKey is VIWGJPPNENOTGF-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-2-22-14-5-3-4-11(15(14)23-16(18)19)10-20-21-13-8-6-12(17)7-9-13/h3-10,16,21H,2H2,1H3/b20-10-.
What are the key properties of 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline?
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline has a molecular weight of 340.76 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 9015411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).