4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide

C15H10Cl3N3O3 — CID 5217077

IUPAC4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl3N3O3/c1-8(11-6-7-12(16)14(18)13(11)17)19-20-15(22)9-2-4-10(5-3-9)21(23)24/h2-7H,1H3,(H,20,22)
InChIKeySCPLEHWHJVOCCI-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.71
Rot. Bonds4

About 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide

4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide (PubChem CID 5217077) has the molecular formula C15H10Cl3N3O3 and a molecular weight of 386.62 g/mol. Its IUPAC name is 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
PubChem CID5217077
Molecular FormulaC15H10Cl3N3O3
Molecular Weight386.62 g/mol
Exact Mass384.98
IUPAC Name4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl3N3O3/c1-8(11-6-7-12(16)14(18)13(11)17)19-20-15(22)9-2-4-10(5-3-9)21(23)24/h2-7H,1H3,(H,20,22)
InChIKeySCPLEHWHJVOCCI-UHFFFAOYSA-N
XLogP4.71
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide 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)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3997107
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-nitro-N-(pentan-3-ylideneamino)benzamide
CID 4230759

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide (CID 5217077) is 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
The InChIKey is SCPLEHWHJVOCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O3/c1-8(11-6-7-12(16)14(18)13(11)17)19-20-15(22)9-2-4-10(5-3-9)21(23)24/h2-7H,1H3,(H,20,22).
What are the key properties of 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide has a molecular weight of 386.62 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5217077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).