3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine

C24H19ClF3N3O2 — CID 142003409

IUPAC3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine
SMILESNC(=O)c1ccc(O)c(Cl)c1.[H]/N=C/c1ccc2c(ccn2Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F3N2.C7H6ClNO2/c18-17(19,20)15-3-1-2-13(9-15)11-22-7-6-14-8-12(10-21)4-5-16(14)22;8-5-3-4(7(9)11)1-2-6(5)10/h1-10,21H,11H2;1-3,10H,(H2,9,11)/b21-10+;
InChIKeyLEHCDPWPXKHSTI-FYEZMLSJSA-N
MW473.88 g/mol
LogP5.85
Rot. Bonds4

About 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine

3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine (PubChem CID 142003409) has the molecular formula C24H19ClF3N3O2 and a molecular weight of 473.88 g/mol. Its IUPAC name is 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine.

Molecular Properties

Compound Name3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine
PubChem CID142003409
Molecular FormulaC24H19ClF3N3O2
Molecular Weight473.88 g/mol
Exact Mass473.11
IUPAC Name3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine
SMILESNC(=O)c1ccc(O)c(Cl)c1.[H]/N=C/c1ccc2c(ccn2Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F3N2.C7H6ClNO2/c18-17(19,20)15-3-1-2-13(9-15)11-22-7-6-14-8-12(10-21)4-5-16(14)22;8-5-3-4(7(9)11)1-2-6(5)10/h1-10,21H,11H2;1-3,10H,(H2,9,11)/b21-10+;
InChIKeyLEHCDPWPXKHSTI-FYEZMLSJSA-N
XLogP5.85
TPSA92.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.88
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-Tetrahydro pyrido[3,4-b]indole 33
CID 6539948
3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
CID 9824797
3-Chloro-4-hydroxy-benzoic acid [1-(2,3,5,6-tetramethyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
CID 9825482
3-Chloro-4-hydroxy-benzoic acid [1-(3,4-dichloro-benzyl)-1H-indol-4-ylmethylene]-hydrazide
CID 9869430
3-Chloro-4-hydroxy-benzoic acid [1-(4-trifluoromethyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
CID 9956429
3-Chloro-4-hydroxy-benzoic acid [1-(4-trifluoromethoxy-benzyl)-1H-indol-4-ylmethylene]-hydrazide
CID 9957123
3-Chloro-4-hydroxy-benzoic acid [1-(2,4,6-trimethyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
CID 11102344
3-Chloro-4-hydroxy-benzoic acid [1-(4-trifluoromethoxy-benzyl)-1H-indol-5-ylmethylene]-hydrazide
CID 11113699
3-chloro-4-hydroxy-N-[(E)-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-4-yl]methylideneamino]benzamide
CID 25022641
3-Chloro-4-hydroxy-benzoic acid [1-(4-difluoromethoxy-benzyl)-1H-indol-3-ylmethylene]-hydrazide
CID 44369291
3-Chloro-4-hydroxy-benzoic acid (1-benzyl-1H-indol-3-ylmethylene)-hydrazide
CID 44369346
3-Chloro-4-hydroxy-benzoic acid [1-[1-(4-isopropyl-benzyl)-1H-indol-3-yl]-meth-(E)-ylidene]-hydrazide
CID 44373462

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine?
The IUPAC name of 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine (CID 142003409) is 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine.
What is the SMILES notation for 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine?
The canonical SMILES for 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine is NC(=O)c1ccc(O)c(Cl)c1.[H]/N=C/c1ccc2c(ccn2Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine?
The InChIKey is LEHCDPWPXKHSTI-FYEZMLSJSA-N. The full InChI is InChI=1S/C17H13F3N2.C7H6ClNO2/c18-17(19,20)15-3-1-2-13(9-15)11-22-7-6-14-8-12(10-21)4-5-16(14)22;8-5-3-4(7(9)11)1-2-6(5)10/h1-10,21H,11H2;1-3,10H,(H2,9,11)/b21-10+;.
What are the key properties of 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine?
3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine has a molecular weight of 473.88 g/mol, XLogP of 5.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine is sourced from PubChem (CID 142003409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).