2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide

C15H20BrN3O2 — CID 76931291

IUPAC2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
SMILESNC(=NO)C1(NC(=O)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H20BrN3O2/c16-12-6-4-5-11(9-12)10-13(20)18-15(14(17)19-21)7-2-1-3-8-15/h4-6,9,21H,1-3,7-8,10H2,(H2,17,19)(H,18,20)
InChIKeyYBJDQPSNXQPDAQ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide

2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide (PubChem CID 76931291) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
PubChem CID76931291
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
SMILESNC(=NO)C1(NC(=O)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H20BrN3O2/c16-12-6-4-5-11(9-12)10-13(20)18-15(14(17)19-21)7-2-1-3-8-15/h4-6,9,21H,1-3,7-8,10H2,(H2,17,19)(H,18,20)
InChIKeyYBJDQPSNXQPDAQ-UHFFFAOYSA-N
XLogP2.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76931277
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429
4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76922754
2-(4-bromophenyl)-N-(1-carbamothioylcycloheptyl)acetamide
CID 61119765
N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
CID 62388197
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
CID 107940507
2-(3-bromophenyl)acetamide
CID 11736027
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(3-bromophenyl)acetamide
CID 114314942

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide (CID 76931291) is 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide is NC(=NO)C1(NC(=O)Cc2cccc(Br)c2)CCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide?
The InChIKey is YBJDQPSNXQPDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-12-6-4-5-11(9-12)10-13(20)18-15(14(17)19-21)7-2-1-3-8-15/h4-6,9,21H,1-3,7-8,10H2,(H2,17,19)(H,18,20).
What are the key properties of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide?
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide has a molecular weight of 354.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide is sourced from PubChem (CID 76931291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).