N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide

C22H15ClFN3O — CID 70130221

IUPACN-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H15ClFN3O/c23-16-9-5-14(6-10-16)13-25-27-22(28)21-20(15-7-11-17(24)12-8-15)18-3-1-2-4-19(18)26-21/h1-13,26H,(H,27,28)
InChIKeyBVSOHZIQEZPXQG-UHFFFAOYSA-N
MW391.83 g/mol
LogP5.39
Rot. Bonds4

About N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide

N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide (PubChem CID 70130221) has the molecular formula C22H15ClFN3O and a molecular weight of 391.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
PubChem CID70130221
Molecular FormulaC22H15ClFN3O
Molecular Weight391.83 g/mol
Exact Mass391.09
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H15ClFN3O/c23-16-9-5-14(6-10-16)13-25-27-22(28)21-20(15-7-11-17(24)12-8-15)18-3-1-2-4-19(18)26-21/h1-13,26H,(H,27,28)
InChIKeyBVSOHZIQEZPXQG-UHFFFAOYSA-N
XLogP5.39
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide
CID 10136695
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 10272869
[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126402849
[2-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126399004
N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 10137885
N-[(E)-(4-butoxyphenyl)methylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 6878086
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126401287

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide (CID 70130221) is N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide is O=C(NN=Cc1ccc(Cl)cc1)c1[nH]c2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is BVSOHZIQEZPXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O/c23-16-9-5-14(6-10-16)13-25-27-22(28)21-20(15-7-11-17(24)12-8-15)18-3-1-2-4-19(18)26-21/h1-13,26H,(H,27,28).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide?
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70130221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).