4-(2-chloro-3-hydroxyphenyl)but-3-enamide

C10H10ClNO2 — CID 170797494

IUPAC4-(2-chloro-3-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cccc(O)c1Cl
InChIInChI=1S/C10H10ClNO2/c11-10-7(3-1-5-8(10)13)4-2-6-9(12)14/h1-5,13H,6H2,(H2,12,14)
InChIKeyWCESSMXVFTUBQK-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.93
Rot. Bonds3

About 4-(2-chloro-3-hydroxyphenyl)but-3-enamide

4-(2-chloro-3-hydroxyphenyl)but-3-enamide (PubChem CID 170797494) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-(2-chloro-3-hydroxyphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(2-chloro-3-hydroxyphenyl)but-3-enamide
PubChem CID170797494
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-(2-chloro-3-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cccc(O)c1Cl
InChIInChI=1S/C10H10ClNO2/c11-10-7(3-1-5-8(10)13)4-2-6-9(12)14/h1-5,13H,6H2,(H2,12,14)
InChIKeyWCESSMXVFTUBQK-UHFFFAOYSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-(4-hydroxybut-1-enyl)phenol
CID 170476157
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
3-(4-amino-4-oxobut-1-enyl)-2-fluorobenzoic acid
CID 170798147
4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide
CID 170798412
4-[2-(2-oxopropyl)phenyl]but-3-enamide
CID 170798223
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(3-amino-2-nitrophenyl)but-3-enamide
CID 170798265
4-(3-fluoro-2-nitrophenyl)but-3-enamide
CID 170798325
methyl 2-amino-3-(4-amino-4-oxobut-1-enyl)benzoate
CID 170798557

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-hydroxyphenyl)but-3-enamide?
The IUPAC name of 4-(2-chloro-3-hydroxyphenyl)but-3-enamide (CID 170797494) is 4-(2-chloro-3-hydroxyphenyl)but-3-enamide.
What is the SMILES notation for 4-(2-chloro-3-hydroxyphenyl)but-3-enamide?
The canonical SMILES for 4-(2-chloro-3-hydroxyphenyl)but-3-enamide is NC(=O)CC=Cc1cccc(O)c1Cl.
What is the InChIKey of 4-(2-chloro-3-hydroxyphenyl)but-3-enamide?
The InChIKey is WCESSMXVFTUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-10-7(3-1-5-8(10)13)4-2-6-9(12)14/h1-5,13H,6H2,(H2,12,14).
What are the key properties of 4-(2-chloro-3-hydroxyphenyl)but-3-enamide?
4-(2-chloro-3-hydroxyphenyl)but-3-enamide has a molecular weight of 211.65 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-hydroxyphenyl)but-3-enamide is sourced from PubChem (CID 170797494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).