1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide

C25H30Br2N4O6 — CID 5241473

IUPAC1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C25H30Br2N4O6/c1-36-20-12-10-16(14-18(20)26)24(34)30-28-22(32)8-6-4-3-5-7-9-23(33)29-31-25(35)17-11-13-21(37-2)19(27)15-17/h10-15H,3-9H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyBCZFCXQDUNSBHH-UHFFFAOYSA-N
MW642.35 g/mol
LogP4.18
Rot. Bonds12

About 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide

1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide (PubChem CID 5241473) has the molecular formula C25H30Br2N4O6 and a molecular weight of 642.35 g/mol. Its IUPAC name is 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
PubChem CID5241473
Molecular FormulaC25H30Br2N4O6
Molecular Weight642.35 g/mol
Exact Mass640.05
IUPAC Name1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C25H30Br2N4O6/c1-36-20-12-10-16(14-18(20)26)24(34)30-28-22(32)8-6-4-3-5-7-9-23(33)29-31-25(35)17-11-13-21(37-2)19(27)15-17/h10-15H,3-9H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyBCZFCXQDUNSBHH-UHFFFAOYSA-N
XLogP4.18
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.35
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide 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

3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5118738
3-phenylpropyl 4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 4934519
N'-hexanoyl-3-iodo-4-methoxybenzohydrazide
CID 4953926
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 5119214
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide (CID 5241473) is 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide is COc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br.
What is the InChIKey of 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide?
The InChIKey is BCZFCXQDUNSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Br2N4O6/c1-36-20-12-10-16(14-18(20)26)24(34)30-28-22(32)8-6-4-3-5-7-9-23(33)29-31-25(35)17-11-13-21(37-2)19(27)15-17/h10-15H,3-9H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35).
What are the key properties of 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide?
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide has a molecular weight of 642.35 g/mol, XLogP of 4.18, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide is sourced from PubChem (CID 5241473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).