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

C15H18F2N4O2 — CID 134210112

IUPACN-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESO=C(NNc1ccc(F)cc1)C1CC(F)CN1C(=O)NC1CC1
InChIInChI=1S/C15H18F2N4O2/c16-9-1-3-12(4-2-9)19-20-14(22)13-7-10(17)8-21(13)15(23)18-11-5-6-11/h1-4,10-11,13,19H,5-8H2,(H,18,23)(H,20,22)
InChIKeyIREHQXJZSLJICX-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.55
Rot. Bonds4

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

N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide (PubChem CID 134210112) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
PubChem CID134210112
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC NameN-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESO=C(NNc1ccc(F)cc1)C1CC(F)CN1C(=O)NC1CC1
InChIInChI=1S/C15H18F2N4O2/c16-9-1-3-12(4-2-9)19-20-14(22)13-7-10(17)8-21(13)15(23)18-11-5-6-11/h1-4,10-11,13,19H,5-8H2,(H,18,23)(H,20,22)
InChIKeyIREHQXJZSLJICX-UHFFFAOYSA-N
XLogP1.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide (CID 134210112) is N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide is O=C(NNc1ccc(F)cc1)C1CC(F)CN1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
The InChIKey is IREHQXJZSLJICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c16-9-1-3-12(4-2-9)19-20-14(22)13-7-10(17)8-21(13)15(23)18-11-5-6-11/h1-4,10-11,13,19H,5-8H2,(H,18,23)(H,20,22).
What are the key properties of N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide?
N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134210112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).