[4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate

C16H15BrN2O3 — CID 129452144

IUPAC[4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate
SMILESCc1cc(C(=O)NN)cc(C)c1OC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-9-6-12(15(20)19-18)7-10(2)14(9)22-16(21)11-4-3-5-13(17)8-11/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyUIZABXJBFWTORJ-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.89
Rot. Bonds3

About [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate

[4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate (PubChem CID 129452144) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate.

Molecular Properties

Compound Name[4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate
PubChem CID129452144
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name[4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate
SMILESCc1cc(C(=O)NN)cc(C)c1OC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-9-6-12(15(20)19-18)7-10(2)14(9)22-16(21)11-4-3-5-13(17)8-11/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyUIZABXJBFWTORJ-UHFFFAOYSA-N
XLogP2.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate 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

ethyl 3-(hydrazinecarbonyl)benzoate
CID 131844336
(2-bromo-6-ethoxy-4-formylphenyl) 3-bromobenzoate
CID 4766839
(2,6-dimethoxyphenyl) 3-bromobenzoate
CID 2552301
(2-methylphenyl) 3-bromobenzoate
CID 530789
(2,6-dimethylphenyl) 5-bromopyridine-3-carboxylate
CID 8765718
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756950
(4-carbamoyl-2,6-dimethylphenyl) 3-chlorobenzoate
CID 129452366
(4-methoxycarbonylphenyl) 3-bromobenzoate
CID 2678010
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
1-(3-bromophenyl)butan-1-one
CID 18417701
(4-formyl-2-iodo-6-methoxyphenyl) 3-bromobenzoate
CID 4766837
[4-[[(3-bromobenzoyl)amino]carbamoyl]phenyl] 3-bromobenzoate
CID 1218977

Frequently Asked Questions

What is the IUPAC name of [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate?
The IUPAC name of [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate (CID 129452144) is [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate.
What is the SMILES notation for [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate?
The canonical SMILES for [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate is Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1cccc(Br)c1.
What is the InChIKey of [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate?
The InChIKey is UIZABXJBFWTORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-9-6-12(15(20)19-18)7-10(2)14(9)22-16(21)11-4-3-5-13(17)8-11/h3-8H,18H2,1-2H3,(H,19,20).
What are the key properties of [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate?
[4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate has a molecular weight of 363.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate is sourced from PubChem (CID 129452144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).