2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide

C24H19N5O5 — CID 3954599

IUPAC2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C24H19N5O5/c30-24(13-18-7-1-3-10-22(18)29(33)34)26-25-14-19-16-27(23-11-4-2-9-21(19)23)15-17-6-5-8-20(12-17)28(31)32/h1-12,14,16H,13,15H2,(H,26,30)
InChIKeyCZFQOGFRUDUJIF-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.20
Rot. Bonds8

About 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide

2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 3954599) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide
PubChem CID3954599
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC Name2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C24H19N5O5/c30-24(13-18-7-1-3-10-22(18)29(33)34)26-25-14-19-16-27(23-11-4-2-9-21(19)23)15-17-6-5-8-20(12-17)28(31)32/h1-12,14,16H,13,15H2,(H,26,30)
InChIKeyCZFQOGFRUDUJIF-UHFFFAOYSA-N
XLogP4.20
TPSA132.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
1-ethyl-3-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 3515922
5-nitro-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 3523460
N-[[1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4238897
N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-3-nitrobenzamide
CID 126222273
N-[(E)-[3,5-dichloro-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126378521
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126103928
N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-2,4-dinitroaniline
CID 126218763
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 3954599) is 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12.
What is the InChIKey of 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The InChIKey is CZFQOGFRUDUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5/c30-24(13-18-7-1-3-10-22(18)29(33)34)26-25-14-19-16-27(23-11-4-2-9-21(19)23)15-17-6-5-8-20(12-17)28(31)32/h1-12,14,16H,13,15H2,(H,26,30).
What are the key properties of 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide has a molecular weight of 457.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 3954599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).