3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide

C17H18FN3O3 — CID 46271658

IUPAC3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNc1c(N2CCCC2)c(=O)c1=O)Nc1ccccc1F
InChIInChI=1S/C17H18FN3O3/c18-11-5-1-2-6-12(11)20-13(22)7-8-19-14-15(17(24)16(14)23)21-9-3-4-10-21/h1-2,5-6,19H,3-4,7-10H2,(H,20,22)
InChIKeyQCMJIZOPIYMKIT-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.46
Rot. Bonds6

About 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide

3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide (PubChem CID 46271658) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide
PubChem CID46271658
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNc1c(N2CCCC2)c(=O)c1=O)Nc1ccccc1F
InChIInChI=1S/C17H18FN3O3/c18-11-5-1-2-6-12(11)20-13(22)7-8-19-14-15(17(24)16(14)23)21-9-3-4-10-21/h1-2,5-6,19H,3-4,7-10H2,(H,20,22)
InChIKeyQCMJIZOPIYMKIT-UHFFFAOYSA-N
XLogP1.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 46271642
3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 46271641
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
ethyl 4-[3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]propanoylamino]benzoate
CID 3245730
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide (CID 46271658) is 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide is O=C(CCNc1c(N2CCCC2)c(=O)c1=O)Nc1ccccc1F.
What is the InChIKey of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide?
The InChIKey is QCMJIZOPIYMKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-11-5-1-2-6-12(11)20-13(22)7-8-19-14-15(17(24)16(14)23)21-9-3-4-10-21/h1-2,5-6,19H,3-4,7-10H2,(H,20,22).
What are the key properties of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide?
3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide has a molecular weight of 331.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 46271658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).