N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide

C11H12ClNO2 — CID 166414513

IUPACN-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c1-2-11(15)13-7-10(14)8-3-5-9(12)6-4-8/h2-6,10,14H,1,7H2,(H,13,15)/t10-/m1/s1
InChIKeyQSWDZNFISVDEHB-SNVBAGLBSA-N
MW225.68 g/mol
LogP1.68
Rot. Bonds4

About N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide

N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide (PubChem CID 166414513) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
PubChem CID166414513
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c1-2-11(15)13-7-10(14)8-3-5-9(12)6-4-8/h2-6,10,14H,1,7H2,(H,13,15)/t10-/m1/s1
InChIKeyQSWDZNFISVDEHB-SNVBAGLBSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(3-bromo-4-fluorophenyl)-2-hydroxyethyl]prop-2-enamide
CID 166414364
(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide
CID 110465762
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
CID 110885456
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylthiourea
CID 14458362

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide (CID 166414513) is N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide is C=CC(=O)NC[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide?
The InChIKey is QSWDZNFISVDEHB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-2-11(15)13-7-10(14)8-3-5-9(12)6-4-8/h2-6,10,14H,1,7H2,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide?
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide has a molecular weight of 225.68 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide is sourced from PubChem (CID 166414513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).