N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide

C22H19N5O5 — CID 3090062

IUPACN-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
SMILESCN(C)c1ccc(C(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1
InChIInChI=1S/C22H19N5O5/c1-25(2)18-10-8-16(9-11-18)21(15-6-4-3-5-7-15)23-24-22(28)17-12-19(26(29)30)14-20(13-17)27(31)32/h3-14H,1-2H3,(H,24,28)
InChIKeyGTXIXGTWKPTLBB-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.75
Rot. Bonds7

About N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide

N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide (PubChem CID 3090062) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
PubChem CID3090062
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC NameN-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
SMILESCN(C)c1ccc(C(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1
InChIInChI=1S/C22H19N5O5/c1-25(2)18-10-8-16(9-11-18)21(15-6-4-3-5-7-15)23-24-22(28)17-12-19(26(29)30)14-20(13-17)27(31)32/h3-14H,1-2H3,(H,24,28)
InChIKeyGTXIXGTWKPTLBB-UHFFFAOYSA-N
XLogP3.75
TPSA130.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.75
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'}

Analyze N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide 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

N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 43907085
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114

Frequently Asked Questions

What is the IUPAC name of N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide?
The IUPAC name of N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide (CID 3090062) is N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide?
The canonical SMILES for N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide is CN(C)c1ccc(C(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1.
What is the InChIKey of N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide?
The InChIKey is GTXIXGTWKPTLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-25(2)18-10-8-16(9-11-18)21(15-6-4-3-5-7-15)23-24-22(28)17-12-19(26(29)30)14-20(13-17)27(31)32/h3-14H,1-2H3,(H,24,28).
What are the key properties of N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide?
N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide has a molecular weight of 433.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide is sourced from PubChem (CID 3090062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).