(E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide

C11H12ClNO3 — CID 118904929

IUPAC(E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide
SMILESCCO/C=C/C(=O)Nc1cc(O)ccc1Cl
InChIInChI=1S/C11H12ClNO3/c1-2-16-6-5-11(15)13-10-7-8(14)3-4-9(10)12/h3-7,14H,2H2,1H3,(H,13,15)/b6-5+
InChIKeyBGMMNFPQSVMCAD-AATRIKPKSA-N
MW241.67 g/mol
LogP2.53
Rot. Bonds4

About (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide

(E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide (PubChem CID 118904929) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide
PubChem CID118904929
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide
SMILESCCO/C=C/C(=O)Nc1cc(O)ccc1Cl
InChIInChI=1S/C11H12ClNO3/c1-2-16-6-5-11(15)13-10-7-8(14)3-4-9(10)12/h3-7,14H,2H2,1H3,(H,13,15)/b6-5+
InChIKeyBGMMNFPQSVMCAD-AATRIKPKSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-ethoxy-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 155576303
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
N-(2-chloro-4-hydroxyphenyl)but-2-enamide
CID 77042642
1-(2,5-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 76951460
methyl 4-chloro-3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoate
CID 84552416
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
4-chloro-3-(ethylamino)phenol
CID 146310841
4-[5-(butanoylamino)-2-chloroanilino]-4-oxobut-2-enoic acid
CID 53407462
ethyl 4-chloro-3-(3-phenylprop-2-enoylamino)benzoate
CID 838209
N-(5-bromo-2-chlorophenyl)but-2-enamide
CID 76977308
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 60869996

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide (CID 118904929) is (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide is CCO/C=C/C(=O)Nc1cc(O)ccc1Cl.
What is the InChIKey of (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide?
The InChIKey is BGMMNFPQSVMCAD-AATRIKPKSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-2-16-6-5-11(15)13-10-7-8(14)3-4-9(10)12/h3-7,14H,2H2,1H3,(H,13,15)/b6-5+.
What are the key properties of (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide?
(E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide has a molecular weight of 241.67 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-5-hydroxyphenyl)-3-ethoxyprop-2-enamide is sourced from PubChem (CID 118904929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).