N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide

C23H23BrClN5 — CID 59112383

IUPACN-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide
SMILESCCN(CC)c1ccc(N/N=C(\N=N\c2ccc(Br)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23BrClN5/c1-3-30(4-2)22-15-13-21(14-16-22)27-29-23(17-5-9-19(25)10-6-17)28-26-20-11-7-18(24)8-12-20/h5-16,27H,3-4H2,1-2H3/b28-26+,29-23-
InChIKeyFKPREDIXYDSGNN-BAQRLBGHSA-N
MW484.83 g/mol
LogP7.51
Rot. Bonds7

About N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide

N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide (PubChem CID 59112383) has the molecular formula C23H23BrClN5 and a molecular weight of 484.83 g/mol. Its IUPAC name is N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide.

Molecular Properties

Compound NameN-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide
PubChem CID59112383
Molecular FormulaC23H23BrClN5
Molecular Weight484.83 g/mol
Exact Mass483.08
IUPAC NameN-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide
SMILESCCN(CC)c1ccc(N/N=C(\N=N\c2ccc(Br)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23BrClN5/c1-3-30(4-2)22-15-13-21(14-16-22)27-29-23(17-5-9-19(25)10-6-17)28-26-20-11-7-18(24)8-12-20/h5-16,27H,3-4H2,1-2H3/b28-26+,29-23-
InChIKeyFKPREDIXYDSGNN-BAQRLBGHSA-N
XLogP7.51
TPSA52.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.83
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide?
The IUPAC name of N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide (CID 59112383) is N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide.
What is the SMILES notation for N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide?
The canonical SMILES for N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide is CCN(CC)c1ccc(N/N=C(\N=N\c2ccc(Br)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide?
The InChIKey is FKPREDIXYDSGNN-BAQRLBGHSA-N. The full InChI is InChI=1S/C23H23BrClN5/c1-3-30(4-2)22-15-13-21(14-16-22)27-29-23(17-5-9-19(25)10-6-17)28-26-20-11-7-18(24)8-12-20/h5-16,27H,3-4H2,1-2H3/b28-26+,29-23-.
What are the key properties of N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide?
N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide has a molecular weight of 484.83 g/mol, XLogP of 7.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)imino-4-chloro-N'-[4-(diethylamino)anilino]benzenecarboximidamide is sourced from PubChem (CID 59112383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).