1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine

C21H16F2N2 — CID 23989157

IUPAC1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/N=C/c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H16F2N2/c1-2-25-20-6-4-3-5-16(20)17-12-15(8-10-21(17)25)24-13-14-7-9-18(22)19(23)11-14/h3-13H,2H2,1H3/b24-13+
InChIKeyXMPCQEIZCVYOCW-ZMOGYAJESA-N
MW334.37 g/mol
LogP5.84
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine

1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine (PubChem CID 23989157) has the molecular formula C21H16F2N2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
PubChem CID23989157
Molecular FormulaC21H16F2N2
Molecular Weight334.37 g/mol
Exact Mass334.13
IUPAC Name1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/N=C/c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H16F2N2/c1-2-25-20-6-4-3-5-16(20)17-12-15(8-10-21(17)25)24-13-14-7-9-18(22)19(23)11-14/h3-13H,2H2,1H3/b24-13+
InChIKeyXMPCQEIZCVYOCW-ZMOGYAJESA-N
XLogP5.84
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine (CID 23989157) is 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine is CCn1c2ccccc2c2cc(/N=C/c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine?
The InChIKey is XMPCQEIZCVYOCW-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H16F2N2/c1-2-25-20-6-4-3-5-16(20)17-12-15(8-10-21(17)25)24-13-14-7-9-18(22)19(23)11-14/h3-13H,2H2,1H3/b24-13+.
What are the key properties of 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine?
1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine has a molecular weight of 334.37 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine is sourced from PubChem (CID 23989157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).