(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide

C18H16ClNO2 — CID 108757177

IUPAC(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC1CCOc2ccccc21
InChIInChI=1S/C18H16ClNO2/c19-15-7-3-1-5-13(15)9-10-18(21)20-16-11-12-22-17-8-4-2-6-14(16)17/h1-10,16H,11-12H2,(H,20,21)/b10-9+
InChIKeyWQIXPICTOIDQMR-MDZDMXLPSA-N
MW313.78 g/mol
LogP3.99
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide (PubChem CID 108757177) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
PubChem CID108757177
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC1CCOc2ccccc21
InChIInChI=1S/C18H16ClNO2/c19-15-7-3-1-5-13(15)9-10-18(21)20-16-11-12-22-17-8-4-2-6-14(16)17/h1-10,16H,11-12H2,(H,20,21)/b10-9+
InChIKeyWQIXPICTOIDQMR-MDZDMXLPSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.99
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

(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757471
(E)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 108764745
(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46813693
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 18192972
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 55372998
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide (CID 108757177) is (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NC1CCOc2ccccc21.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
The InChIKey is WQIXPICTOIDQMR-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-15-7-3-1-5-13(15)9-10-18(21)20-16-11-12-22-17-8-4-2-6-14(16)17/h1-10,16H,11-12H2,(H,20,21)/b10-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide has a molecular weight of 313.78 g/mol, XLogP of 3.99, 3 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-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide is sourced from PubChem (CID 108757177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).