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

C14H18BrN3O2 — CID 76931277

IUPAC2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
SMILESNC(=NO)C1(NC(=O)Cc2cccc(Br)c2)CCCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-5-3-4-10(8-11)9-12(19)17-14(13(16)18-20)6-1-2-7-14/h3-5,8,20H,1-2,6-7,9H2,(H2,16,18)(H,17,19)
InChIKeyODHXZVMNFSAHMY-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.17
Rot. Bonds4

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

2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide (PubChem CID 76931277) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
PubChem CID76931277
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
SMILESNC(=NO)C1(NC(=O)Cc2cccc(Br)c2)CCCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-5-3-4-10(8-11)9-12(19)17-14(13(16)18-20)6-1-2-7-14/h3-5,8,20H,1-2,6-7,9H2,(H2,16,18)(H,17,19)
InChIKeyODHXZVMNFSAHMY-UHFFFAOYSA-N
XLogP2.17
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.17
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)cyclohexyl]acetamide
CID 76931291
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429
4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76922754
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
CID 62388197
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
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
2-(4-bromophenyl)-N-(1-carbamothioylcycloheptyl)acetamide
CID 61119765

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide (CID 76931277) is 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide is NC(=NO)C1(NC(=O)Cc2cccc(Br)c2)CCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
The InChIKey is ODHXZVMNFSAHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-11-5-3-4-10(8-11)9-12(19)17-14(13(16)18-20)6-1-2-7-14/h3-5,8,20H,1-2,6-7,9H2,(H2,16,18)(H,17,19).
What are the key properties of 2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide has a molecular weight of 340.22 g/mol, XLogP of 2.17, 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)cyclopentyl]acetamide is sourced from PubChem (CID 76931277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).