N'-(3-bromophenyl)cyclobutanecarbohydrazide

C11H13BrN2O — CID 67269294

IUPACN'-(3-bromophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C11H13BrN2O/c12-9-5-2-6-10(7-9)13-14-11(15)8-3-1-4-8/h2,5-8,13H,1,3-4H2,(H,14,15)
InChIKeyMMSFMQVYUYZMIJ-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.69
Rot. Bonds3

About N'-(3-bromophenyl)cyclobutanecarbohydrazide

N'-(3-bromophenyl)cyclobutanecarbohydrazide (PubChem CID 67269294) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N'-(3-bromophenyl)cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-(3-bromophenyl)cyclobutanecarbohydrazide
PubChem CID67269294
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN'-(3-bromophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C11H13BrN2O/c12-9-5-2-6-10(7-9)13-14-11(15)8-3-1-4-8/h2,5-8,13H,1,3-4H2,(H,14,15)
InChIKeyMMSFMQVYUYZMIJ-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)cyclobutanecarbohydrazide
CID 169221984
N'-phenylcyclohexanecarbohydrazide
CID 544018
1-(3-bromoanilino)-3-methylurea
CID 131019959
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447080
3-[(3-bromophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126697825
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)cyclobutanecarbohydrazide?
The IUPAC name of N'-(3-bromophenyl)cyclobutanecarbohydrazide (CID 67269294) is N'-(3-bromophenyl)cyclobutanecarbohydrazide.
What is the SMILES notation for N'-(3-bromophenyl)cyclobutanecarbohydrazide?
The canonical SMILES for N'-(3-bromophenyl)cyclobutanecarbohydrazide is O=C(NNc1cccc(Br)c1)C1CCC1.
What is the InChIKey of N'-(3-bromophenyl)cyclobutanecarbohydrazide?
The InChIKey is MMSFMQVYUYZMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-9-5-2-6-10(7-9)13-14-11(15)8-3-1-4-8/h2,5-8,13H,1,3-4H2,(H,14,15).
What are the key properties of N'-(3-bromophenyl)cyclobutanecarbohydrazide?
N'-(3-bromophenyl)cyclobutanecarbohydrazide has a molecular weight of 269.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)cyclobutanecarbohydrazide is sourced from PubChem (CID 67269294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).