N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide

C22H15BrFN3O — CID 10137885

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2c(F)cccc2c1-c1ccccc1
InChIInChI=1S/C22H15BrFN3O/c23-16-11-9-14(10-12-16)13-25-27-22(28)21-19(15-5-2-1-3-6-15)17-7-4-8-18(24)20(17)26-21/h1-13,26H,(H,27,28)/b25-13+
InChIKeyANEKUEMDNCVRBI-DHRITJCHSA-N
MW436.28 g/mol
LogP5.50
Rot. Bonds4

About N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide

N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 10137885) has the molecular formula C22H15BrFN3O and a molecular weight of 436.28 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide
PubChem CID10137885
Molecular FormulaC22H15BrFN3O
Molecular Weight436.28 g/mol
Exact Mass435.04
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2c(F)cccc2c1-c1ccccc1
InChIInChI=1S/C22H15BrFN3O/c23-16-11-9-14(10-12-16)13-25-27-22(28)21-19(15-5-2-1-3-6-15)17-7-4-8-18(24)20(17)26-21/h1-13,26H,(H,27,28)/b25-13+
InChIKeyANEKUEMDNCVRBI-DHRITJCHSA-N
XLogP5.50
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.28
LogP ≤ 55.50
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-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
[4-bromo-2-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 5-chloro-2-methoxybenzoate
CID 126400459
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
[4-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 126402556
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
[2-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126401415
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10203805
7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
CID 70139049
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
[2-ethoxy-4-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-acetyloxy-3-methoxybenzoate
CID 126400810

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide (CID 10137885) is N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide is O=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2c(F)cccc2c1-c1ccccc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is ANEKUEMDNCVRBI-DHRITJCHSA-N. The full InChI is InChI=1S/C22H15BrFN3O/c23-16-11-9-14(10-12-16)13-25-27-22(28)21-19(15-5-2-1-3-6-15)17-7-4-8-18(24)20(17)26-21/h1-13,26H,(H,27,28)/b25-13+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide?
N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 436.28 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10137885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).