N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide

C12H14ClN3O3 — CID 107809858

IUPACN-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide
SMILESN/C(=N/O)c1ccc(NC(=O)C2CCOC2)c(Cl)c1
InChIInChI=1S/C12H14ClN3O3/c13-9-5-7(11(14)16-18)1-2-10(9)15-12(17)8-3-4-19-6-8/h1-2,5,8,18H,3-4,6H2,(H2,14,16)(H,15,17)
InChIKeyZMOVJGNXPONMQF-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.41
Rot. Bonds3

About N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide

N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide (PubChem CID 107809858) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide
PubChem CID107809858
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide
SMILESN/C(=N/O)c1ccc(NC(=O)C2CCOC2)c(Cl)c1
InChIInChI=1S/C12H14ClN3O3/c13-9-5-7(11(14)16-18)1-2-10(9)15-12(17)8-3-4-19-6-8/h1-2,5,8,18H,3-4,6H2,(H2,14,16)(H,15,17)
InChIKeyZMOVJGNXPONMQF-UHFFFAOYSA-N
XLogP1.41
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methyloxolane-3-carboxamide
CID 107809867
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
CID 71969033
N-[3-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982117
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]azepane-1-carboxamide
CID 107809995
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-[2-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982116
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide (CID 107809858) is N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide is N/C(=N/O)c1ccc(NC(=O)C2CCOC2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide?
The InChIKey is ZMOVJGNXPONMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-5-7(11(14)16-18)1-2-10(9)15-12(17)8-3-4-19-6-8/h1-2,5,8,18H,3-4,6H2,(H2,14,16)(H,15,17).
What are the key properties of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide?
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide has a molecular weight of 283.71 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 107809858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).