3,8-dichloro-4-methylidene-1-benzazepine

C11H7Cl2N — CID 123376118

IUPAC3,8-dichloro-4-methylidene-1-benzazepine
SMILESC=C1C=c2ccc(Cl)cc2=NC=C1Cl
InChIInChI=1S/C11H7Cl2N/c1-7-4-8-2-3-9(12)5-11(8)14-6-10(7)13/h2-6H,1H2
InChIKeyTTZLOKJLXZCALZ-UHFFFAOYSA-N
MW224.09 g/mol
LogP2.39
Rot. Bonds

About 3,8-dichloro-4-methylidene-1-benzazepine

3,8-dichloro-4-methylidene-1-benzazepine (PubChem CID 123376118) has the molecular formula C11H7Cl2N and a molecular weight of 224.09 g/mol. Its IUPAC name is 3,8-dichloro-4-methylidene-1-benzazepine.

Molecular Properties

Compound Name3,8-dichloro-4-methylidene-1-benzazepine
PubChem CID123376118
Molecular FormulaC11H7Cl2N
Molecular Weight224.09 g/mol
Exact Mass223.00
IUPAC Name3,8-dichloro-4-methylidene-1-benzazepine
SMILESC=C1C=c2ccc(Cl)cc2=NC=C1Cl
InChIInChI=1S/C11H7Cl2N/c1-7-4-8-2-3-9(12)5-11(8)14-6-10(7)13/h2-6H,1H2
InChIKeyTTZLOKJLXZCALZ-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,8-dichloro-4-methylidene-1-benzazepine 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-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 145222315
5-chloro-7H-indole
CID 69343385
lithium 6,8-dichloro-4H-quinolin-4-ide
CID 88829968
lithium 6-chloro-4H-quinolin-4-ide
CID 88830526
lithium 7-chloro-4H-quinolin-4-ide
CID 88830981
2,5-Diazabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaene
CID 101216924
2-Azabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
CID 123284874
4-Chloro-2,3-dihydroquinoline
CID 123394411
3-methyl-4H-1-benzazepine
CID 123517892
(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
CID 123946891
2-chloro-6-ethyl-3H-azepine
CID 123959817
2,5-Diazabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
CID 129201413

Frequently Asked Questions

What is the IUPAC name of 3,8-dichloro-4-methylidene-1-benzazepine?
The IUPAC name of 3,8-dichloro-4-methylidene-1-benzazepine (CID 123376118) is 3,8-dichloro-4-methylidene-1-benzazepine.
What is the SMILES notation for 3,8-dichloro-4-methylidene-1-benzazepine?
The canonical SMILES for 3,8-dichloro-4-methylidene-1-benzazepine is C=C1C=c2ccc(Cl)cc2=NC=C1Cl.
What is the InChIKey of 3,8-dichloro-4-methylidene-1-benzazepine?
The InChIKey is TTZLOKJLXZCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N/c1-7-4-8-2-3-9(12)5-11(8)14-6-10(7)13/h2-6H,1H2.
What are the key properties of 3,8-dichloro-4-methylidene-1-benzazepine?
3,8-dichloro-4-methylidene-1-benzazepine has a molecular weight of 224.09 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dichloro-4-methylidene-1-benzazepine is sourced from PubChem (CID 123376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).