(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

C16H15ClN2O3 — CID 70692247

IUPAC(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1cc(C)c(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cn1
InChIInChI=1S/C16H15ClN2O3/c1-10-7-16(22-2)18-9-13(10)12-4-3-11(14(17)8-12)5-6-15(20)19-21/h3-9,21H,1-2H3,(H,19,20)/b6-5+
InChIKeyFMHZRNRTCFOUKK-AATRIKPKSA-N
MW318.76 g/mol
LogP3.24
Rot. Bonds4

About (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70692247) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70692247
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1cc(C)c(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cn1
InChIInChI=1S/C16H15ClN2O3/c1-10-7-16(22-2)18-9-13(10)12-4-3-11(14(17)8-12)5-6-15(20)19-21/h3-9,21H,1-2H3,(H,19,20)/b6-5+
InChIKeyFMHZRNRTCFOUKK-AATRIKPKSA-N
XLogP3.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.24
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

CID 53322149
CID 53322149
CID 70683802
CID 70683802
CID 70694321
CID 70694321
CID 70696406
CID 70696406
CID 70685931
CID 70685931
CID 70692248
CID 70692248
CID 76319815
CID 76319815
CID 126578710
CID 126578710
CID 126603037
CID 126603037
CID 141343280
CID 141343280
CID 172564376
CID 172564376
CID 178721610
CID 178721610

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (CID 70692247) is (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is COc1cc(C)c(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cn1.
What is the InChIKey of (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is FMHZRNRTCFOUKK-AATRIKPKSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-7-16(22-2)18-9-13(10)12-4-3-11(14(17)8-12)5-6-15(20)19-21/h3-9,21H,1-2H3,(H,19,20)/b6-5+.
What are the key properties of (E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 318.76 g/mol, XLogP of 3.24, 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-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70692247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).