N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide

C15H17F3N4O2 — CID 134210028

IUPACN-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESO=C(NNc1ccc(F)cc1)C1CC(F)(F)CN1C(=O)NC1CC1
InChIInChI=1S/C15H17F3N4O2/c16-9-1-3-11(4-2-9)20-21-13(23)12-7-15(17,18)8-22(12)14(24)19-10-5-6-10/h1-4,10,12,20H,5-8H2,(H,19,24)(H,21,23)
InChIKeyRXLBQRJHCPWGMJ-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.85
Rot. Bonds4

About N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide

N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide (PubChem CID 134210028) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
PubChem CID134210028
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESO=C(NNc1ccc(F)cc1)C1CC(F)(F)CN1C(=O)NC1CC1
InChIInChI=1S/C15H17F3N4O2/c16-9-1-3-11(4-2-9)20-21-13(23)12-7-15(17,18)8-22(12)14(24)19-10-5-6-10/h1-4,10,12,20H,5-8H2,(H,19,24)(H,21,23)
InChIKeyRXLBQRJHCPWGMJ-UHFFFAOYSA-N
XLogP1.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134210112
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 47069861
[4-amino-3-[[2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carbonyl]amino]-4-oxobutan-2-yl] acetate
CID 134209963
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
[5-[(4-fluoroanilino)carbamoyl]-1-methylpyrrolidin-3-yl] carbamate
CID 155092287
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
CID 134209959
2,2-difluoro-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144539030
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 9165511
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide (CID 134210028) is N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide is O=C(NNc1ccc(F)cc1)C1CC(F)(F)CN1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
The InChIKey is RXLBQRJHCPWGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c16-9-1-3-11(4-2-9)20-21-13(23)12-7-15(17,18)8-22(12)14(24)19-10-5-6-10/h1-4,10,12,20H,5-8H2,(H,19,24)(H,21,23).
What are the key properties of N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,4-difluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134210028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).