(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide

C9H8ClNO2 — CID 131243997

IUPAC(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H8ClNO2/c10-7-5-6(1-3-8(7)12)2-4-9(11)13/h1-5,12H,(H2,11,13)/b4-2+
InChIKeyPCTQLQWITUKDIA-DUXPYHPUSA-N
MW197.62 g/mol
LogP1.54
Rot. Bonds2

About (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide

(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide (PubChem CID 131243997) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
PubChem CID131243997
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H8ClNO2/c10-7-5-6(1-3-8(7)12)2-4-9(11)13/h1-5,12H,(H2,11,13)/b4-2+
InChIKeyPCTQLQWITUKDIA-DUXPYHPUSA-N
XLogP1.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide
CID 169482354
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
CID 59104271
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
2-[5-(3-amino-3-oxoprop-1-enyl)-2-chlorophenyl]acetic acid
CID 169482209
(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877762
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865
chlorobenzene;(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 143982422
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
CID 169482230
3-(3-chloro-4-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 75268565

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide (CID 131243997) is (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C/c1ccc(O)c(Cl)c1.
What is the InChIKey of (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is PCTQLQWITUKDIA-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-5-6(1-3-8(7)12)2-4-9(11)13/h1-5,12H,(H2,11,13)/b4-2+.
What are the key properties of (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide?
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 197.62 g/mol, XLogP of 1.54, 2 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-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 131243997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).