N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

C16H16FN3O2 — CID 71999484

IUPACN-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C16H16FN3O2/c17-12-3-1-4-13(11(12)9-18)19-15(21)14-5-2-8-20(14)16(22)10-6-7-10/h1,3-4,10,14H,2,5-8H2,(H,19,21)
InChIKeyKEQCFGGKBLPFAD-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.04
Rot. Bonds3

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

N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 71999484) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID71999484
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C16H16FN3O2/c17-12-3-1-4-13(11(12)9-18)19-15(21)14-5-2-8-20(14)16(22)10-6-7-10/h1,3-4,10,14H,2,5-8H2,(H,19,21)
InChIKeyKEQCFGGKBLPFAD-UHFFFAOYSA-N
XLogP2.04
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 64824294
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 71999484) is N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is N#Cc1c(F)cccc1NC(=O)C1CCCN1C(=O)C1CC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is KEQCFGGKBLPFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-3-1-4-13(11(12)9-18)19-15(21)14-5-2-8-20(14)16(22)10-6-7-10/h1,3-4,10,14H,2,5-8H2,(H,19,21).
What are the key properties of N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71999484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).