N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide

C20H27FN2O2 — CID 71956170

IUPACN-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)CC(=O)N1CC(C(=O)NC2CC2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O2/c1-20(2,3)10-18(24)23-11-16(13-4-6-14(21)7-5-13)17(12-23)19(25)22-15-8-9-15/h4-7,15-17H,8-12H2,1-3H3,(H,22,25)
InChIKeyVZVHAJMQVFAYDQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.08
Rot. Bonds4

About N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide

N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 71956170) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide
PubChem CID71956170
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)CC(=O)N1CC(C(=O)NC2CC2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O2/c1-20(2,3)10-18(24)23-11-16(13-4-6-14(21)7-5-13)17(12-23)19(25)22-15-8-9-15/h4-7,15-17H,8-12H2,1-3H3,(H,22,25)
InChIKeyVZVHAJMQVFAYDQ-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide (CID 71956170) is N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide is CC(C)(C)CC(=O)N1CC(C(=O)NC2CC2)C(c2ccc(F)cc2)C1.
What is the InChIKey of N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is VZVHAJMQVFAYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-20(2,3)10-18(24)23-11-16(13-4-6-14(21)7-5-13)17(12-23)19(25)22-15-8-9-15/h4-7,15-17H,8-12H2,1-3H3,(H,22,25).
What are the key properties of N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71956170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).