1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C19H25FN2O2 — CID 42680928

IUPAC1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)C2CC2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-12(2)9-21-18(23)17-11-22(19(24)14-3-4-14)10-16(17)13-5-7-15(20)8-6-13/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeyVXJWPOJDPLAQFS-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.55
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 42680928) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID42680928
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)C2CC2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-12(2)9-21-18(23)17-11-22(19(24)14-3-4-14)10-16(17)13-5-7-15(20)8-6-13/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeyVXJWPOJDPLAQFS-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 42680928) is 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CN(C(=O)C2CC2)CC1c1ccc(F)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is VXJWPOJDPLAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-12(2)9-21-18(23)17-11-22(19(24)14-3-4-14)10-16(17)13-5-7-15(20)8-6-13/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3,(H,21,23).
What are the key properties of 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).