N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide

C25H23FN2O3 — CID 16558973

IUPACN-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)o1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C25H23FN2O3/c26-21-11-5-3-9-19(21)23-15-13-18(31-23)14-16-24(29)28-22-12-6-4-10-20(22)25(30)27-17-7-1-2-8-17/h3-6,9-17H,1-2,7-8H2,(H,27,30)(H,28,29)/b16-14+
InChIKeyUBHHBUVGAVTLKR-JQIJEIRASA-N
MW418.47 g/mol
LogP5.41
Rot. Bonds6

About N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide

N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide (PubChem CID 16558973) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide
PubChem CID16558973
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC NameN-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)o1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C25H23FN2O3/c26-21-11-5-3-9-19(21)23-15-13-18(31-23)14-16-24(29)28-22-12-6-4-10-20(22)25(30)27-17-7-1-2-8-17/h3-6,9-17H,1-2,7-8H2,(H,27,30)(H,28,29)/b16-14+
InChIKeyUBHHBUVGAVTLKR-JQIJEIRASA-N
XLogP5.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
CID 1286179
N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
CID 9428099
2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513688
methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
CID 39725906
(E)-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 8940077
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 8700153
N-cyclopropyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]benzamide
CID 75616751
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 71899302
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2-fluorophenyl)prop-2-enamide
CID 3913972

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide (CID 16558973) is N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide is O=C(/C=C/c1ccc(-c2ccccc2F)o1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide?
The InChIKey is UBHHBUVGAVTLKR-JQIJEIRASA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-21-11-5-3-9-19(21)23-15-13-18(31-23)14-16-24(29)28-22-12-6-4-10-20(22)25(30)27-17-7-1-2-8-17/h3-6,9-17H,1-2,7-8H2,(H,27,30)(H,28,29)/b16-14+.
What are the key properties of N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide?
N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide has a molecular weight of 418.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 16558973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).