N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide

C15H21FN2O — CID 106974072

IUPACN-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(F)cc2)CCCN1
InChIInChI=1S/C15H21FN2O/c1-2-8-15(9-3-10-18-15)14(19)17-11-12-4-6-13(16)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,17,19)
InChIKeySSMKTTBPCGQCRS-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974072) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974072
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(F)cc2)CCCN1
InChIInChI=1S/C15H21FN2O/c1-2-8-15(9-3-10-18-15)14(19)17-11-12-4-6-13(16)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,17,19)
InChIKeySSMKTTBPCGQCRS-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974506
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974307
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106371523
N-(2-hydroxy-2-phenylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974225
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106371199
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975716

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide (CID 106974072) is N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCc2ccc(F)cc2)CCCN1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is SSMKTTBPCGQCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-8-15(9-3-10-18-15)14(19)17-11-12-4-6-13(16)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).