N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

C18H18BrN3O3 — CID 2195691

IUPACN-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESC=C(NNC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O3/c1-12(13-7-9-14(19)10-8-13)21-22-17(23)11-20-18(24)15-5-3-4-6-16(15)25-2/h3-10,21H,1,11H2,2H3,(H,20,24)(H,22,23)
InChIKeyOVVRJKWVEZNFNC-UHFFFAOYSA-N
MW404.26 g/mol
LogP2.48
Rot. Bonds7

About N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 2195691) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
PubChem CID2195691
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC NameN-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESC=C(NNC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O3/c1-12(13-7-9-14(19)10-8-13)21-22-17(23)11-20-18(24)15-5-3-4-6-16(15)25-2/h3-10,21H,1,11H2,2H3,(H,20,24)(H,22,23)
InChIKeyOVVRJKWVEZNFNC-UHFFFAOYSA-N
XLogP2.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-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

N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
N-[2-[2-(4-ethylbenzoyl)hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601375
N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 40791696
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601129
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364189
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
2-ethoxy-N'-[1-(4-methoxyphenyl)ethenyl]benzohydrazide
CID 5052026

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (CID 2195691) is N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is C=C(NNC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is OVVRJKWVEZNFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-12(13-7-9-14(19)10-8-13)21-22-17(23)11-20-18(24)15-5-3-4-6-16(15)25-2/h3-10,21H,1,11H2,2H3,(H,20,24)(H,22,23).
What are the key properties of N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 404.26 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 2195691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).