N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide

C13H16ClN3O2 — CID 103166180

IUPACN-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide
SMILESN/C(=N/O)c1ccc(Cl)c(NC(=O)CC2CCC2)c1
InChIInChI=1S/C13H16ClN3O2/c14-10-5-4-9(13(15)17-19)7-11(10)16-12(18)6-8-2-1-3-8/h4-5,7-8,19H,1-3,6H2,(H2,15,17)(H,16,18)
InChIKeyDCLLXPLDQNJFIC-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.56
Rot. Bonds4

About N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide

N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide (PubChem CID 103166180) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide
PubChem CID103166180
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide
SMILESN/C(=N/O)c1ccc(Cl)c(NC(=O)CC2CCC2)c1
InChIInChI=1S/C13H16ClN3O2/c14-10-5-4-9(13(15)17-19)7-11(10)16-12(18)6-8-2-1-3-8/h4-5,7-8,19H,1-3,6H2,(H2,15,17)(H,16,18)
InChIKeyDCLLXPLDQNJFIC-UHFFFAOYSA-N
XLogP2.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
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-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide
CID 76935492
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
N-[2-bromo-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclopropylacetamide
CID 107790328
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(5-carbamothioyl-2-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83137569
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 11839733
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
CID 115687176
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide?
The IUPAC name of N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide (CID 103166180) is N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide is N/C(=N/O)c1ccc(Cl)c(NC(=O)CC2CCC2)c1.
What is the InChIKey of N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide?
The InChIKey is DCLLXPLDQNJFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-5-4-9(13(15)17-19)7-11(10)16-12(18)6-8-2-1-3-8/h4-5,7-8,19H,1-3,6H2,(H2,15,17)(H,16,18).
What are the key properties of N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide?
N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide has a molecular weight of 281.74 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 N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide is sourced from PubChem (CID 103166180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).