(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide

C20H18ClNO2 — CID 143209581

IUPAC(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide
SMILESC=C(/C=C/c1ccc(/C=C/C(=O)NO)cc1Cl)c1ccccc1C
InChIInChI=1S/C20H18ClNO2/c1-14-5-3-4-6-18(14)15(2)7-10-17-11-8-16(13-19(17)21)9-12-20(23)22-24/h3-13,24H,2H2,1H3,(H,22,23)/b10-7+,12-9+
InChIKeyDSLGTFRTNQTDIW-NWABJRNTSA-N
MW339.82 g/mol
LogP4.89
Rot. Bonds5

About (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 143209581) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID143209581
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide
SMILESC=C(/C=C/c1ccc(/C=C/C(=O)NO)cc1Cl)c1ccccc1C
InChIInChI=1S/C20H18ClNO2/c1-14-5-3-4-6-18(14)15(2)7-10-17-11-8-16(13-19(17)21)9-12-20(23)22-24/h3-13,24H,2H2,1H3,(H,22,23)/b10-7+,12-9+
InChIKeyDSLGTFRTNQTDIW-NWABJRNTSA-N
XLogP4.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220813
3-[3-chloro-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73038212
(E)-3-[3-chloro-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11508464
(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 8714064
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11652550
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide
CID 143209580
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide (CID 143209581) is (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide is C=C(/C=C/c1ccc(/C=C/C(=O)NO)cc1Cl)c1ccccc1C.
What is the InChIKey of (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is DSLGTFRTNQTDIW-NWABJRNTSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-14-5-3-4-6-18(14)15(2)7-10-17-11-8-16(13-19(17)21)9-12-20(23)22-24/h3-13,24H,2H2,1H3,(H,22,23)/b10-7+,12-9+.
What are the key properties of (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 339.82 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 143209581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).