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

C12H12FN3O — CID 78954561

IUPACN-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)N1CCCC1
InChIInChI=1S/C12H12FN3O/c13-10-4-3-5-11(9(10)8-14)15-12(17)16-6-1-2-7-16/h3-5H,1-2,6-7H2,(H,15,17)
InChIKeySPTZEIULVSTUQR-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.33
Rot. Bonds1

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

N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 78954561) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID78954561
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)N1CCCC1
InChIInChI=1S/C12H12FN3O/c13-10-4-3-5-11(9(10)8-14)15-12(17)16-6-1-2-7-16/h3-5H,1-2,6-7H2,(H,15,17)
InChIKeySPTZEIULVSTUQR-UHFFFAOYSA-N
XLogP2.33
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
CID 75433885
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CID 43580810
N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 71999484
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
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CID 43580526
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide (CID 78954561) is N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide is N#Cc1c(F)cccc1NC(=O)N1CCCC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is SPTZEIULVSTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-4-3-5-11(9(10)8-14)15-12(17)16-6-1-2-7-16/h3-5H,1-2,6-7H2,(H,15,17).
What are the key properties of N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide?
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 78954561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).