4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide

C15H14Br2N2O2S — CID 24539950

IUPAC4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide
SMILESO=C(CCCc1ccc(Br)s1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14Br2N2O2S/c16-11-6-4-10(5-7-11)15(21)19-18-14(20)3-1-2-12-8-9-13(17)22-12/h4-9H,1-3H2,(H,18,20)(H,19,21)
InChIKeyCOVHZPVSHZUWCO-UHFFFAOYSA-N
MW446.16 g/mol
LogP4.06
Rot. Bonds5

About 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide

4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide (PubChem CID 24539950) has the molecular formula C15H14Br2N2O2S and a molecular weight of 446.16 g/mol. Its IUPAC name is 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide
PubChem CID24539950
Molecular FormulaC15H14Br2N2O2S
Molecular Weight446.16 g/mol
Exact Mass443.91
IUPAC Name4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide
SMILESO=C(CCCc1ccc(Br)s1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14Br2N2O2S/c16-11-6-4-10(5-7-11)15(21)19-18-14(20)3-1-2-12-8-9-13(17)22-12/h4-9H,1-3H2,(H,18,20)(H,19,21)
InChIKeyCOVHZPVSHZUWCO-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.16
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 15380519
4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3155815
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274
3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846336
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
CID 113492709
4-[4-(5-bromothiophen-2-yl)butanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79208986
N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119568116
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide (CID 24539950) is 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide is O=C(CCCc1ccc(Br)s1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide?
The InChIKey is COVHZPVSHZUWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2S/c16-11-6-4-10(5-7-11)15(21)19-18-14(20)3-1-2-12-8-9-13(17)22-12/h4-9H,1-3H2,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide?
4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide has a molecular weight of 446.16 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 24539950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).