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

C10H10ClNO2 — CID 77042642

IUPACN-(2-chloro-4-hydroxyphenyl)but-2-enamide
SMILESCC=CC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-3-10(14)12-9-5-4-7(13)6-8(9)11/h2-6,13H,1H3,(H,12,14)
InChIKeyPZBVIKDZYIRNJW-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.56
Rot. Bonds2

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

N-(2-chloro-4-hydroxyphenyl)but-2-enamide (PubChem CID 77042642) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)but-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)but-2-enamide
PubChem CID77042642
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-(2-chloro-4-hydroxyphenyl)but-2-enamide
SMILESCC=CC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-3-10(14)12-9-5-4-7(13)6-8(9)11/h2-6,13H,1H3,(H,12,14)
InChIKeyPZBVIKDZYIRNJW-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(but-2-enoylamino)-3-chlorobenzoic acid
CID 77034162
N-(2-chloro-4-hydroxyphenyl)acetamide
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N-(5-bromo-2-chlorophenyl)but-2-enamide
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(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
CID 81027410
N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide
CID 77045482
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64788324
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)but-2-enamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)but-2-enamide (CID 77042642) is N-(2-chloro-4-hydroxyphenyl)but-2-enamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)but-2-enamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)but-2-enamide is CC=CC(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)but-2-enamide?
The InChIKey is PZBVIKDZYIRNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-3-10(14)12-9-5-4-7(13)6-8(9)11/h2-6,13H,1H3,(H,12,14).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)but-2-enamide?
N-(2-chloro-4-hydroxyphenyl)but-2-enamide has a molecular weight of 211.65 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)but-2-enamide is sourced from PubChem (CID 77042642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).