N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide

C14H16FN3O — CID 63138813

IUPACN-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2C#N)CCNC1
InChIInChI=1S/C14H16FN3O/c1-2-14(6-7-17-9-14)13(19)18-12-5-3-4-11(15)10(12)8-16/h3-5,17H,2,6-7,9H2,1H3,(H,18,19)
InChIKeyDRSADJJJFSZZNI-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.03
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide

N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63138813) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID63138813
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2C#N)CCNC1
InChIInChI=1S/C14H16FN3O/c1-2-14(6-7-17-9-14)13(19)18-12-5-3-4-11(15)10(12)8-16/h3-5,17H,2,6-7,9H2,1H3,(H,18,19)
InChIKeyDRSADJJJFSZZNI-UHFFFAOYSA-N
XLogP2.03
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655756
4-[(3-ethylpyrrolidine-3-carbonyl)amino]-3-fluorobenzoic acid
CID 63187702
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide (CID 63138813) is N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cccc(F)c2C#N)CCNC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is DRSADJJJFSZZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-14(6-7-17-9-14)13(19)18-12-5-3-4-11(15)10(12)8-16/h3-5,17H,2,6-7,9H2,1H3,(H,18,19).
What are the key properties of N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide?
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).