N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

C23H12Cl2F7N3 — CID 5341332

IUPACN-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H12Cl2F7N3/c24-13-6-5-11(15(25)7-13)9-35-10-12(14-3-1-2-4-16(14)35)8-33-34-22-20(28)18(26)17(23(30,31)32)19(27)21(22)29/h1-8,10,34H,9H2/b33-8-
InChIKeyYTDONTYBJJWRCK-XBLLBSOESA-N
MW534.26 g/mol
LogP8.02
Rot. Bonds5

About N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (PubChem CID 5341332) has the molecular formula C23H12Cl2F7N3 and a molecular weight of 534.26 g/mol. Its IUPAC name is N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
PubChem CID5341332
Molecular FormulaC23H12Cl2F7N3
Molecular Weight534.26 g/mol
Exact Mass533.03
IUPAC NameN-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H12Cl2F7N3/c24-13-6-5-11(15(25)7-13)9-35-10-12(14-3-1-2-4-16(14)35)8-33-34-22-20(28)18(26)17(23(30,31)32)19(27)21(22)29/h1-8,10,34H,9H2/b33-8-
InChIKeyYTDONTYBJJWRCK-XBLLBSOESA-N
XLogP8.02
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.26
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (CID 5341332) is N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The InChIKey is YTDONTYBJJWRCK-XBLLBSOESA-N. The full InChI is InChI=1S/C23H12Cl2F7N3/c24-13-6-5-11(15(25)7-13)9-35-10-12(14-3-1-2-4-16(14)35)8-33-34-22-20(28)18(26)17(23(30,31)32)19(27)21(22)29/h1-8,10,34H,9H2/b33-8-.
What are the key properties of N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline has a molecular weight of 534.26 g/mol, XLogP of 8.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 5341332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).