(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide

C13H16ClNO2 — CID 109468488

IUPAC(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC/C(=C\c1ccccc1Cl)C(=O)NCC(C)O
InChIInChI=1S/C13H16ClNO2/c1-9(13(17)15-8-10(2)16)7-11-5-3-4-6-12(11)14/h3-7,10,16H,8H2,1-2H3,(H,15,17)/b9-7+
InChIKeyRXTBFMQGUNERJA-VQHVLOKHSA-N
MW253.73 g/mol
LogP2.24
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 109468488) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID109468488
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC/C(=C\c1ccccc1Cl)C(=O)NCC(C)O
InChIInChI=1S/C13H16ClNO2/c1-9(13(17)15-8-10(2)16)7-11-5-3-4-6-12(11)14/h3-7,10,16H,8H2,1-2H3,(H,15,17)/b9-7+
InChIKeyRXTBFMQGUNERJA-VQHVLOKHSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.24
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-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
(E)-3-(2-chlorophenyl)-2-methyl-N-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]prop-2-enamide
CID 99633428
3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 156779688
(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 807795
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one
CID 70387335
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 110301626
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide (CID 109468488) is (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide is C/C(=C\c1ccccc1Cl)C(=O)NCC(C)O.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is RXTBFMQGUNERJA-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9(13(17)15-8-10(2)16)7-11-5-3-4-6-12(11)14/h3-7,10,16H,8H2,1-2H3,(H,15,17)/b9-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 253.73 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 109468488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).