N-(4-chloro-2-hydroxyphenyl)prop-2-enamide

C9H8ClNO2 — CID 137321991

IUPACN-(4-chloro-2-hydroxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C9H8ClNO2/c1-2-9(13)11-7-4-3-6(10)5-8(7)12/h2-5,12H,1H2,(H,11,13)
InChIKeyRUWRUTPEXFENOK-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.17
Rot. Bonds2

About N-(4-chloro-2-hydroxyphenyl)prop-2-enamide

N-(4-chloro-2-hydroxyphenyl)prop-2-enamide (PubChem CID 137321991) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)prop-2-enamide
PubChem CID137321991
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC NameN-(4-chloro-2-hydroxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C9H8ClNO2/c1-2-9(13)11-7-4-3-6(10)5-8(7)12/h2-5,12H,1H2,(H,11,13)
InChIKeyRUWRUTPEXFENOK-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-(prop-2-enoylamino)benzoic acid
CID 45089793
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681
N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
CID 85469449
N-(2-chloro-4-phenylphenyl)prop-2-enamide
CID 166408251
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
(Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 18877712
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
N-[2-amino-4-(4-amino-3-hydroxyphenyl)phenyl]prop-2-enamide;N-[2-amino-4-(4-aminophenyl)phenyl]prop-2-enamide
CID 70520996
N-[5-(4-chlorophenyl)-2-formylthiophen-3-yl]prop-2-enamide
CID 166904135
N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 58715951

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)prop-2-enamide (CID 137321991) is N-(4-chloro-2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)prop-2-enamide?
The InChIKey is RUWRUTPEXFENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-2-9(13)11-7-4-3-6(10)5-8(7)12/h2-5,12H,1H2,(H,11,13).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)prop-2-enamide?
N-(4-chloro-2-hydroxyphenyl)prop-2-enamide has a molecular weight of 197.62 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 N-(4-chloro-2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 137321991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).