N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide

C22H15ClN4O3 — CID 10295546

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C22H15ClN4O3/c23-16-8-4-5-14(11-16)13-24-26-22(28)21-20(15-6-2-1-3-7-15)18-12-17(27(29)30)9-10-19(18)25-21/h1-13,25H,(H,26,28)/b24-13+
InChIKeyKYPIKQXFSWPHFS-ZMOGYAJESA-N
MW418.84 g/mol
LogP5.16
Rot. Bonds5

About N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide

N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 10295546) has the molecular formula C22H15ClN4O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
PubChem CID10295546
Molecular FormulaC22H15ClN4O3
Molecular Weight418.84 g/mol
Exact Mass418.08
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C22H15ClN4O3/c23-16-8-4-5-14(11-16)13-24-26-22(28)21-20(15-6-2-1-3-7-15)18-12-17(27(29)30)9-10-19(18)25-21/h1-13,25H,(H,26,28)/b24-13+
InChIKeyKYPIKQXFSWPHFS-ZMOGYAJESA-N
XLogP5.16
TPSA100.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.84
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 136897273
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 136897272
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide
CID 6103084
[4-[[(5-iodo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzoate
CID 126402426
N-[(E)-(4-butoxyphenyl)methylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 6878086
6-chloro-3-[3-(3-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3091000
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
[4-[[[5-(dimethylamino)-3-phenyl-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate
CID 126401778
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10203805

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide (CID 10295546) is N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide is O=C(N/N=C/c1cccc(Cl)c1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is KYPIKQXFSWPHFS-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H15ClN4O3/c23-16-8-4-5-14(11-16)13-24-26-22(28)21-20(15-6-2-1-3-7-15)18-12-17(27(29)30)9-10-19(18)25-21/h1-13,25H,(H,26,28)/b24-13+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 418.84 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10295546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).