N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide

C23H23FN2O2 — CID 72688706

IUPACN-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide
SMILESCC(=CC(=O)Nc1ccccc1NC(=O)CC1C=CCC1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c1-16(18-10-12-19(24)13-11-18)14-22(27)25-20-8-4-5-9-21(20)26-23(28)15-17-6-2-3-7-17/h2,4-6,8-14,17H,3,7,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyMWKFJDURHANMPE-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.16
Rot. Bonds6

About N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide

N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide (PubChem CID 72688706) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide
PubChem CID72688706
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC NameN-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide
SMILESCC(=CC(=O)Nc1ccccc1NC(=O)CC1C=CCC1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c1-16(18-10-12-19(24)13-11-18)14-22(27)25-20-8-4-5-9-21(20)26-23(28)15-17-6-2-3-7-17/h2,4-6,8-14,17H,3,7,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyMWKFJDURHANMPE-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]hexa-2,4-dienamide
CID 72688727
(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 95318709
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
CID 86901395
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
CID 9038011
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 78807815
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide?
The IUPAC name of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide (CID 72688706) is N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide.
What is the SMILES notation for N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide?
The canonical SMILES for N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide is CC(=CC(=O)Nc1ccccc1NC(=O)CC1C=CCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide?
The InChIKey is MWKFJDURHANMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-16(18-10-12-19(24)13-11-18)14-22(27)25-20-8-4-5-9-21(20)26-23(28)15-17-6-2-3-7-17/h2,4-6,8-14,17H,3,7,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide?
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide has a molecular weight of 378.45 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide is sourced from PubChem (CID 72688706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).