N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide

C12H14ClN3O3 — CID 106502803

IUPACN-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide
SMILESN/C(=N/O)C(NC(=O)c1cc(O)ccc1Cl)C1CC1
InChIInChI=1S/C12H14ClN3O3/c13-9-4-3-7(17)5-8(9)12(18)15-10(6-1-2-6)11(14)16-19/h3-6,10,17,19H,1-2H2,(H2,14,16)(H,15,18)
InChIKeyOQGPBMNTPSGSGF-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.30
Rot. Bonds4

About N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide

N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide (PubChem CID 106502803) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide
PubChem CID106502803
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide
SMILESN/C(=N/O)C(NC(=O)c1cc(O)ccc1Cl)C1CC1
InChIInChI=1S/C12H14ClN3O3/c13-9-4-3-7(17)5-8(9)12(18)15-10(6-1-2-6)11(14)16-19/h3-6,10,17,19H,1-2H2,(H2,14,16)(H,15,18)
InChIKeyOQGPBMNTPSGSGF-UHFFFAOYSA-N
XLogP1.30
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.30
H-Bond Donors ≤ 54
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-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4-dichlorobenzamide
CID 77038466
N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-3-chloro-2-fluorobenzamide
CID 81262533
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromo-2-methylbenzamide
CID 77064909
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-bromo-5-fluorobenzamide
CID 77039184
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)naphthalene-1-carboxamide
CID 77038961
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
CID 77038556
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-hydroxy-3-methoxybenzamide
CID 77038559
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,4-difluorobenzamide
CID 77038955
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-bromobenzamide
CID 77039302
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromothiophene-2-carboxamide
CID 77039239
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide (CID 106502803) is N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide is N/C(=N/O)C(NC(=O)c1cc(O)ccc1Cl)C1CC1.
What is the InChIKey of N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide?
The InChIKey is OQGPBMNTPSGSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-4-3-7(17)5-8(9)12(18)15-10(6-1-2-6)11(14)16-19/h3-6,10,17,19H,1-2H2,(H2,14,16)(H,15,18).
What are the key properties of N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide?
N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide has a molecular weight of 283.71 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106502803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).