(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide

C19H17ClN2O3 — CID 51962961

IUPAC(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-3-14-7-6-8-15(11-14)22-18(23)12-21-19(24)13(2)25-17-10-5-4-9-16(17)20/h1,4-11,13H,12H2,2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyZZXQDGNOCIUAGV-CYBMUJFWSA-N
MW356.81 g/mol
LogP2.84
Rot. Bonds6

About (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide (PubChem CID 51962961) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
PubChem CID51962961
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-3-14-7-6-8-15(11-14)22-18(23)12-21-19(24)13(2)25-17-10-5-4-9-16(17)20/h1,4-11,13H,12H2,2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyZZXQDGNOCIUAGV-CYBMUJFWSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
N-(3-ethynylphenyl)-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]acetamide
CID 111342471
N-(3-ethynylphenyl)-2-[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111215480
N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
CID 55952611
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 96533534
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
N-(3-ethynylphenyl)-2-[[3-(2-phenylethynyl)phenyl]carbamoylamino]acetamide
CID 112838330

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide (CID 51962961) is (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide is C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide?
The InChIKey is ZZXQDGNOCIUAGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-14-7-6-8-15(11-14)22-18(23)12-21-19(24)13(2)25-17-10-5-4-9-16(17)20/h1,4-11,13H,12H2,2H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide has a molecular weight of 356.81 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 51962961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).