(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide

C10H10ClNO2 — CID 24860349

IUPAC(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
SMILESCc1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C10H10ClNO2/c1-7-6-9(11)4-2-8(7)3-5-10(13)12-14/h2-6,14H,1H3,(H,12,13)/b5-3+
InChIKeyUWFUNUDRGMZSCC-HWKANZROSA-N
MW211.65 g/mol
LogP2.17
Rot. Bonds2

About (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide

(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide (PubChem CID 24860349) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
PubChem CID24860349
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
SMILESCc1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C10H10ClNO2/c1-7-6-9(11)4-2-8(7)3-5-10(13)12-14/h2-6,14H,1H3,(H,12,13)/b5-3+
InChIKeyUWFUNUDRGMZSCC-HWKANZROSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.17
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'}

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Related Compounds

(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide
CID 24860353
(E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide
CID 24860354
3-(5-chloro-2-phenylphenyl)-N-hydroxyprop-2-enamide
CID 151114829
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
CID 6015566
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide
CID 143209580
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11652550
3-[4-[3-(3-chlorophenyl)-3-oxoprop-1-enyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
CID 73031043
3-(5-chloro-2-methylphenyl)prop-2-enoic acid
CID 54186583
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140856

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide (CID 24860349) is (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide is Cc1cc(Cl)ccc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide?
The InChIKey is UWFUNUDRGMZSCC-HWKANZROSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7-6-9(11)4-2-8(7)3-5-10(13)12-14/h2-6,14H,1H3,(H,12,13)/b5-3+.
What are the key properties of (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide?
(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide has a molecular weight of 211.65 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24860349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).