N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide

C23H18N4O4 — CID 3889062

IUPACN-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H18N4O4/c28-23(26-24-14-17-7-4-8-19(11-17)27(29)30)22-13-18-12-20(9-10-21(18)25-22)31-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,26,28)
InChIKeyQQJBPYHZBZLURD-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.42
Rot. Bonds7

About N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide

N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 3889062) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID3889062
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H18N4O4/c28-23(26-24-14-17-7-4-8-19(11-17)27(29)30)22-13-18-12-20(9-10-21(18)25-22)31-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,26,28)
InChIKeyQQJBPYHZBZLURD-UHFFFAOYSA-N
XLogP4.42
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
5-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6885743
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 6029635
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 142529081
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
3-ethoxy-N-[(E)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126326150
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-nitro-1H-indole-2-carboxamide
CID 127051118
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 3302951
N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397217
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide (CID 3889062) is N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide is O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is QQJBPYHZBZLURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c28-23(26-24-14-17-7-4-8-19(11-17)27(29)30)22-13-18-12-20(9-10-21(18)25-22)31-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,26,28).
What are the key properties of N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide?
N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 3889062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).