(E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

C15H13ClN2O3 — CID 70694321

IUPAC(E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ncccc1-c1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-15-12(3-2-8-17-15)11-5-4-10(13(16)9-11)6-7-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b7-6+
InChIKeyISBQCHMDSNEMHW-VOTSOKGWSA-N
MW304.73 g/mol
LogP2.93
Rot. Bonds4

About (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70694321) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70694321
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ncccc1-c1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-15-12(3-2-8-17-15)11-5-4-10(13(16)9-11)6-7-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b7-6+
InChIKeyISBQCHMDSNEMHW-VOTSOKGWSA-N
XLogP2.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70683802
(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692247
(E)-3-[2-chloro-4-(2,6-dimethoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70696406
(E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70685931
(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692248
(E,2E)-5-[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]-4-methyl-2-[(methylideneamino)methylidene]pent-3-enamide
CID 126603037
3-(3-Chlorophenyl)-2-(difluoromethoxy)pyridine
CID 144726616
[3-Amino-2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]prop-2-enylidene]-carbamoyloxyazanium
CID 149036282
5-Chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzamide
CID 172564376
3-(3-Chloro-4-fluorophenyl)-2-methoxypyridine
CID 175712271
5-(5-Chloro-2-fluoro-4-methylphenyl)-2-methoxypyridine
CID 178721610
(Z)-3-amino-N'-[[2-chloro-5-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]prop-2-enimidamide
CID 178722010

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (CID 70694321) is (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is COc1ncccc1-c1ccc(/C=C/C(=O)NO)c(Cl)c1.
What is the InChIKey of (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is ISBQCHMDSNEMHW-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-15-12(3-2-8-17-15)11-5-4-10(13(16)9-11)6-7-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b7-6+.
What are the key properties of (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 304.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70694321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).