N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide

C16H14BrClN2O2 — CID 3698844

IUPACN-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C(C)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c1-10(11-3-5-12(17)6-4-11)19-20-16(21)14-9-13(18)7-8-15(14)22-2/h3-9H,1-2H3,(H,20,21)
InChIKeyBGGXVMWXISTOGC-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.27
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide

N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide (PubChem CID 3698844) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
PubChem CID3698844
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C(C)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c1-10(11-3-5-12(17)6-4-11)19-20-16(21)14-9-13(18)7-8-15(14)22-2/h3-9H,1-2H3,(H,20,21)
InChIKeyBGGXVMWXISTOGC-UHFFFAOYSA-N
XLogP4.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide 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

5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5498486
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
2-[5-[(Z)-N-[(5-chloro-2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid
CID 9297810
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide (CID 3698844) is N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NN=C(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
The InChIKey is BGGXVMWXISTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-10(11-3-5-12(17)6-4-11)19-20-16(21)14-9-13(18)7-8-15(14)22-2/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide has a molecular weight of 381.66 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 3698844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).