4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide

C15H11Cl2N3O3 — CID 3407766

IUPAC4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O3/c1-9(10-2-5-12(16)6-3-10)18-19-15(21)11-4-7-13(17)14(8-11)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeyLPTODRMQWHQLMH-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide

4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide (PubChem CID 3407766) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
PubChem CID3407766
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O3/c1-9(10-2-5-12(16)6-3-10)18-19-15(21)11-4-7-13(17)14(8-11)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeyLPTODRMQWHQLMH-UHFFFAOYSA-N
XLogP4.06
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.06
H-Bond Donors ≤ 51
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'}

Analyze 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide 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

4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
N-(butan-2-ylideneamino)-4-chloro-3-nitrobenzamide
CID 923552
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-3-nitrobenzamide
CID 3139256
N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428724
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6265756
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
1-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-propan-2-ylthiourea
CID 4041828
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide (CID 3407766) is 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide is CC(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide?
The InChIKey is LPTODRMQWHQLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c1-9(10-2-5-12(16)6-3-10)18-19-15(21)11-4-7-13(17)14(8-11)20(22)23/h2-8H,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide?
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide has a molecular weight of 352.18 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 3407766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).