N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine

C22H16ClFN2 — CID 126249418

IUPACN-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
SMILESFc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C22H16ClFN2/c23-19-5-7-21(8-6-19)25-14-16-4-9-22-18(12-16)10-11-26(22)15-17-2-1-3-20(24)13-17/h1-14H,15H2/b25-14+
InChIKeyQWPHEFHOXQTETG-AFUMVMLFSA-N
MW362.84 g/mol
LogP6.23
Rot. Bonds4

About N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine

N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine (PubChem CID 126249418) has the molecular formula C22H16ClFN2 and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
PubChem CID126249418
Molecular FormulaC22H16ClFN2
Molecular Weight362.84 g/mol
Exact Mass362.10
IUPAC NameN-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
SMILESFc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C22H16ClFN2/c23-19-5-7-21(8-6-19)25-14-16-4-9-22-18(12-16)10-11-26(22)15-17-2-1-3-20(24)13-17/h1-14H,15H2/b25-14+
InChIKeyQWPHEFHOXQTETG-AFUMVMLFSA-N
XLogP6.23
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.84
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
CID 126245022
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine
CID 126256315
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
CID 126247362
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
CID 4273821
[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidenehydrazine
CID 168530528
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 126253017
2-bromo-N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]benzamide
CID 126237991
N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126251507
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine (CID 126249418) is N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine is Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)cc4)ccc32)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine?
The InChIKey is QWPHEFHOXQTETG-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H16ClFN2/c23-19-5-7-21(8-6-19)25-14-16-4-9-22-18(12-16)10-11-26(22)15-17-2-1-3-20(24)13-17/h1-14H,15H2/b25-14+.
What are the key properties of N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine?
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine has a molecular weight of 362.84 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine is sourced from PubChem (CID 126249418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).