4-(2-chloro-5-hydroxyphenyl)but-3-enamide

C10H10ClNO2 — CID 170797475

IUPAC4-(2-chloro-5-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(O)ccc1Cl
InChIInChI=1S/C10H10ClNO2/c11-9-5-4-8(13)6-7(9)2-1-3-10(12)14/h1-2,4-6,13H,3H2,(H2,12,14)
InChIKeyNNKOEDZNYPSJIN-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.93
Rot. Bonds3

About 4-(2-chloro-5-hydroxyphenyl)but-3-enamide

4-(2-chloro-5-hydroxyphenyl)but-3-enamide (PubChem CID 170797475) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-(2-chloro-5-hydroxyphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(2-chloro-5-hydroxyphenyl)but-3-enamide
PubChem CID170797475
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-(2-chloro-5-hydroxyphenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(O)ccc1Cl
InChIInChI=1S/C10H10ClNO2/c11-9-5-4-8(13)6-7(9)2-1-3-10(12)14/h1-2,4-6,13H,3H2,(H2,12,14)
InChIKeyNNKOEDZNYPSJIN-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

3-(3-bromoprop-1-enyl)-4-chlorophenol
CID 169475079
4-(2-chloro-3-hydroxyphenyl)but-3-enamide
CID 170797494
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583
4-(2-amino-3,5-dichlorophenyl)but-3-enamide
CID 170797950
4-(2-chloro-5-fluoro-4-nitrophenyl)but-3-enamide
CID 170798570
5-(4-amino-4-oxobut-1-enyl)-2-chlorobenzoic acid
CID 170798138
4-chloro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495346
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
CID 170799023
tert-butyl N-[3-(2-chloro-5-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467073
tert-butyl N-[4-(2-chloro-5-hydroxyphenyl)but-3-enyl]carbamate
CID 170490027
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-hydroxyphenyl)but-3-enamide?
The IUPAC name of 4-(2-chloro-5-hydroxyphenyl)but-3-enamide (CID 170797475) is 4-(2-chloro-5-hydroxyphenyl)but-3-enamide.
What is the SMILES notation for 4-(2-chloro-5-hydroxyphenyl)but-3-enamide?
The canonical SMILES for 4-(2-chloro-5-hydroxyphenyl)but-3-enamide is NC(=O)CC=Cc1cc(O)ccc1Cl.
What is the InChIKey of 4-(2-chloro-5-hydroxyphenyl)but-3-enamide?
The InChIKey is NNKOEDZNYPSJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-9-5-4-8(13)6-7(9)2-1-3-10(12)14/h1-2,4-6,13H,3H2,(H2,12,14).
What are the key properties of 4-(2-chloro-5-hydroxyphenyl)but-3-enamide?
4-(2-chloro-5-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-5-hydroxyphenyl)but-3-enamide is sourced from PubChem (CID 170797475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).