3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide

C15H12BrClN2O — CID 5332759

IUPAC3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C15H12BrClN2O/c1-10(13-7-2-3-8-14(13)17)18-19-15(20)11-5-4-6-12(16)9-11/h2-9H,1H3,(H,19,20)/b18-10-
InChIKeyNZNXOTAZRDBODJ-ZDLGFXPLSA-N
MW351.63 g/mol
LogP4.26
Rot. Bonds3

About 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide

3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide (PubChem CID 5332759) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
PubChem CID5332759
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C15H12BrClN2O/c1-10(13-7-2-3-8-14(13)17)18-19-15(20)11-5-4-6-12(16)9-11/h2-9H,1H3,(H,19,20)/b18-10-
InChIKeyNZNXOTAZRDBODJ-ZDLGFXPLSA-N
XLogP4.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137139850
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
4-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982528
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide (CID 5332759) is 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1Cl.
What is the InChIKey of 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide?
The InChIKey is NZNXOTAZRDBODJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-10(13-7-2-3-8-14(13)17)18-19-15(20)11-5-4-6-12(16)9-11/h2-9H,1H3,(H,19,20)/b18-10-.
What are the key properties of 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide?
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide has a molecular weight of 351.63 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5332759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).