N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide

C21H18FNO2 — CID 85492334

IUPACN-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1F)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H18FNO2/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
InChIKeyCFBQNNFQUVVAMS-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.66
Rot. Bonds6

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

N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 85492334) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID85492334
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC NameN-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1F)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H18FNO2/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
InChIKeyCFBQNNFQUVVAMS-UHFFFAOYSA-N
XLogP4.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.66
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
(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830822
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
(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)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 24518032
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
CID 4058706
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
(E)-N-benzyl-3-(3-chloro-4,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 34907243
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 26195724

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 85492334) is N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is O=C(C=Cc1ccccc1F)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is CFBQNNFQUVVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/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.
What are the key properties of N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 335.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 85492334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).