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

C10H7ClN2O2 — CID 24860354

IUPAC(E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide
SMILESN#Cc1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C10H7ClN2O2/c11-9-3-1-7(8(5-9)6-12)2-4-10(14)13-15/h1-5,15H,(H,13,14)/b4-2+
InChIKeyBOOUJCSXTWQSDX-DUXPYHPUSA-N
MW222.63 g/mol
LogP1.73
Rot. Bonds2

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

(E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide (PubChem CID 24860354) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide
PubChem CID24860354
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name(E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide
SMILESN#Cc1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C10H7ClN2O2/c11-9-3-1-7(8(5-9)6-12)2-4-10(14)13-15/h1-5,15H,(H,13,14)/b4-2+
InChIKeyBOOUJCSXTWQSDX-DUXPYHPUSA-N
XLogP1.73
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide
CID 24860353
5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile
CID 89437028
3-(5-chloro-2-phenylphenyl)-N-hydroxyprop-2-enamide
CID 151114829
5-chloro-2-(3-sulfanylprop-1-enyl)benzonitrile
CID 169455166
2-(2-anilinoethenyl)-5-chlorobenzonitrile
CID 175320904
3-[4-[3-(3-chlorophenyl)-3-oxoprop-1-enyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
CID 73031043
3-(2-cyano-4-methylphenyl)prop-2-enoic acid
CID 67162304
(E)-N-(4-cyano-1-methylpyrazol-5-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 108759949
(E)-3-[5-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]-N-hydroxyprop-2-enamide
CID 44561973
methyl 3-(2-cyano-4-fluorophenyl)prop-2-enoate
CID 54125963
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide (CID 24860354) is (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide is N#Cc1cc(Cl)ccc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is BOOUJCSXTWQSDX-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-3-1-7(8(5-9)6-12)2-4-10(14)13-15/h1-5,15H,(H,13,14)/b4-2+.
What are the key properties of (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide?
(E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 222.63 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24860354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).