(E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide

C20H20ClNO2 — CID 91631298

IUPAC(E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide
SMILESCOC1(CNC(=O)/C=C/c2ccccc2Cl)Cc2ccccc2C1
InChIInChI=1S/C20H20ClNO2/c1-24-20(12-16-7-2-3-8-17(16)13-20)14-22-19(23)11-10-15-6-4-5-9-18(15)21/h2-11H,12-14H2,1H3,(H,22,23)/b11-10+
InChIKeyOXVAYXIKBHAKSS-ZHACJKMWSA-N
MW341.84 g/mol
LogP3.65
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide (PubChem CID 91631298) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide
PubChem CID91631298
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide
SMILESCOC1(CNC(=O)/C=C/c2ccccc2Cl)Cc2ccccc2C1
InChIInChI=1S/C20H20ClNO2/c1-24-20(12-16-7-2-3-8-17(16)13-20)14-22-19(23)11-10-15-6-4-5-9-18(15)21/h2-11H,12-14H2,1H3,(H,22,23)/b11-10+
InChIKeyOXVAYXIKBHAKSS-ZHACJKMWSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]prop-2-enamide
CID 171148556
(E)-3-(2-chlorophenyl)-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]prop-2-enamide
CID 97042622
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
CID 131848081
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclopropanecarboxamide
CID 91631258
(E)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide;hydrochloride
CID 19166685
(E)-3-(2-chlorophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide
CID 103848739
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
(E)-3-(2-chlorophenyl)-N-[[(2R)-oxiran-2-yl]methyl]prop-2-enamide
CID 97180717
(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299921
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide (CID 91631298) is (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide is COC1(CNC(=O)/C=C/c2ccccc2Cl)Cc2ccccc2C1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide?
The InChIKey is OXVAYXIKBHAKSS-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-24-20(12-16-7-2-3-8-17(16)13-20)14-22-19(23)11-10-15-6-4-5-9-18(15)21/h2-11H,12-14H2,1H3,(H,22,23)/b11-10+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide has a molecular weight of 341.84 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 91631298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).