(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide

C21H17Cl2NO2 — CID 18830822

IUPAC(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H17Cl2NO2/c22-18-10-8-17(20(23)13-18)9-11-21(25)24(15-19-7-4-12-26-19)14-16-5-2-1-3-6-16/h1-13H,14-15H2/b11-9+
InChIKeyCRAIHSLCPBZCDX-PKNBQFBNSA-N
MW386.28 g/mol
LogP5.83
Rot. Bonds6

About (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide

(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 18830822) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID18830822
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC Name(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H17Cl2NO2/c22-18-10-8-17(20(23)13-18)9-11-21(25)24(15-19-7-4-12-26-19)14-16-5-2-1-3-6-16/h1-13H,14-15H2/b11-9+
InChIKeyCRAIHSLCPBZCDX-PKNBQFBNSA-N
XLogP5.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.83
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-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830823
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
(E)-N-benzyl-3-(3-chloro-4,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 34907243
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
(E)-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethylcarbamothioyl)prop-2-enamide
CID 17100610
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide
CID 55360216
(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 24518032
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 18830822) is (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is CRAIHSLCPBZCDX-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c22-18-10-8-17(20(23)13-18)9-11-21(25)24(15-19-7-4-12-26-19)14-16-5-2-1-3-6-16/h1-13H,14-15H2/b11-9+.
What are the key properties of (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 386.28 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 18830822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).