(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide

C16H15Cl2NO2 — CID 7779970

IUPAC(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)Cc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H15Cl2NO2/c1-11-6-7-13(21-11)8-9-15(20)19(2)10-12-4-3-5-14(17)16(12)18/h3-9H,10H2,1-2H3/b9-8+
InChIKeyQOESMSDERNVUEX-CMDGGOBGSA-N
MW324.21 g/mol
LogP4.57
Rot. Bonds4

About (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 7779970) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID7779970
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)Cc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H15Cl2NO2/c1-11-6-7-13(21-11)8-9-15(20)19(2)10-12-4-3-5-14(17)16(12)18/h3-9H,10H2,1-2H3/b9-8+
InChIKeyQOESMSDERNVUEX-CMDGGOBGSA-N
XLogP4.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.57
H-Bond Donors ≤ 50
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-(3-chlorophenyl)ethyl]-3-(5-methyl-2-furyl)acrylamide
CID 895944
2,3-dichloro-N-(2-furylmethyl)benzamide
CID 2278558
3-chloro-N-(2-chlorobenzyl)-N-(furan-2-ylmethyl)benzamide
CID 16013282
2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide
CID 56765555
(E)-2-cyano-N-[(3,4-dichlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 71508275
(Z)-3-(5-(2,3-dichlorophenyl)furan-2-yl)-2-(piperidine-1-carbonyl)acrylonitrile
CID 1527349
3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168846
Benzeneacetamide, 2-chloro-N-[(2,5-dimethyl-3-furanyl)methyl]-
CID 56765552
3-(2-Chloro-6-fluorobenzyl)-5-[(5-methyl-2-furyl)methylene]-1,3-thiazolidine-2,4-dione
CID 1232393
1-[(2-Chloro-4-fluorophenyl)methyl]-5-(furan-2-yl)pyridin-2-one
CID 4345603
(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1232394
3,4-dichloro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
CID 3927278

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 7779970) is (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(C)Cc2cccc(Cl)c2Cl)o1.
What is the InChIKey of (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is QOESMSDERNVUEX-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11-6-7-13(21-11)8-9-15(20)19(2)10-12-4-3-5-14(17)16(12)18/h3-9H,10H2,1-2H3/b9-8+.
What are the key properties of (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 324.21 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 7779970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).