N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide

C16H15Cl2NO2 — CID 75905221

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C=Cc1ccco1
InChIInChI=1S/C16H15Cl2NO2/c1-2-19(11-12-5-7-14(17)15(18)10-12)16(20)8-6-13-4-3-9-21-13/h3-10H,2,11H2,1H3
InChIKeyFXTSXNCQEVAZFD-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.65
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 75905221) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
PubChem CID75905221
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C=Cc1ccco1
InChIInChI=1S/C16H15Cl2NO2/c1-2-19(11-12-5-7-14(17)15(18)10-12)16(20)8-6-13-4-3-9-21-13/h3-10H,2,11H2,1H3
InChIKeyFXTSXNCQEVAZFD-UHFFFAOYSA-N
XLogP4.65
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.65
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

(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 8960409
N-(diethylcarbamothioyl)-3-(furan-2-yl)prop-2-enamide
CID 2830723
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide
CID 107366136
(E)-3-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 71803931
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 8833865

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide (CID 75905221) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C=Cc1ccco1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is FXTSXNCQEVAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-19(11-12-5-7-14(17)15(18)10-12)16(20)8-6-13-4-3-9-21-13/h3-10H,2,11H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 324.21 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 75905221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).