2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide

C14H18BrN3O — CID 4983930

IUPAC2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide
SMILESO=C(CNc1cccc(Br)c1)NNC1=CCCCC1
InChIInChI=1S/C14H18BrN3O/c15-11-5-4-8-13(9-11)16-10-14(19)18-17-12-6-2-1-3-7-12/h4-6,8-9,16-17H,1-3,7,10H2,(H,18,19)
InChIKeySFTKPWJHGBMKOP-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide

2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide (PubChem CID 4983930) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide
PubChem CID4983930
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide
SMILESO=C(CNc1cccc(Br)c1)NNC1=CCCCC1
InChIInChI=1S/C14H18BrN3O/c15-11-5-4-8-13(9-11)16-10-14(19)18-17-12-6-2-1-3-7-12/h4-6,8-9,16-17H,1-3,7,10H2,(H,18,19)
InChIKeySFTKPWJHGBMKOP-UHFFFAOYSA-N
XLogP2.94
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide
CID 5077247
N-[2-[2-(cyclopenten-1-yl)hydrazinyl]-2-oxoethyl]benzamide
CID 117060839
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 26505810
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
benzyl 4-[(3-bromoanilino)methyl]piperidine-1-carboxylate
CID 170459934
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide
CID 17435498

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide?
The IUPAC name of 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide (CID 4983930) is 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide is O=C(CNc1cccc(Br)c1)NNC1=CCCCC1.
What is the InChIKey of 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide?
The InChIKey is SFTKPWJHGBMKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-11-5-4-8-13(9-11)16-10-14(19)18-17-12-6-2-1-3-7-12/h4-6,8-9,16-17H,1-3,7,10H2,(H,18,19).
What are the key properties of 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide?
2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide has a molecular weight of 324.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N'-(cyclohexen-1-yl)acetohydrazide is sourced from PubChem (CID 4983930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).