(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide

C21H18ClNO2 — CID 18830823

IUPAC(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H18ClNO2/c22-20-11-5-4-9-18(20)12-13-21(24)23(16-19-10-6-14-25-19)15-17-7-2-1-3-8-17/h1-14H,15-16H2/b13-12+
InChIKeyCXCGVYLOETTYQK-OUKQBFOZSA-N
MW351.83 g/mol
LogP5.18
Rot. Bonds6

About (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide

(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 18830823) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID18830823
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H18ClNO2/c22-20-11-5-4-9-18(20)12-13-21(24)23(16-19-10-6-14-25-19)15-17-7-2-1-3-8-17/h1-14H,15-16H2/b13-12+
InChIKeyCXCGVYLOETTYQK-OUKQBFOZSA-N
XLogP5.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.18
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-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830822
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
(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
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
(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
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 18830823) is (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is CXCGVYLOETTYQK-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-20-11-5-4-9-18(20)12-13-21(24)23(16-19-10-6-14-25-19)15-17-7-2-1-3-8-17/h1-14H,15-16H2/b13-12+.
What are the key properties of (E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 351.83 g/mol, XLogP of 5.18, 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-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 18830823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).