N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide

C15H20F2N2O2 — CID 106974400

IUPACN-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(OC(F)F)c2)CCCN1
InChIInChI=1S/C15H20F2N2O2/c1-2-7-15(8-4-9-18-15)13(20)19-11-5-3-6-12(10-11)21-14(16)17/h3,5-6,10,14,18H,2,4,7-9H2,1H3,(H,19,20)
InChIKeySROWXQXLIRQUSC-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.15
Rot. Bonds6

About N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide

N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974400) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974400
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(OC(F)F)c2)CCCN1
InChIInChI=1S/C15H20F2N2O2/c1-2-7-15(8-4-9-18-15)13(20)19-11-5-3-6-12(10-11)21-14(16)17/h3,5-6,10,14,18H,2,4,7-9H2,1H3,(H,19,20)
InChIKeySROWXQXLIRQUSC-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83063094
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975900
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide (CID 106974400) is N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2cccc(OC(F)F)c2)CCCN1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is SROWXQXLIRQUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-7-15(8-4-9-18-15)13(20)19-11-5-3-6-12(10-11)21-14(16)17/h3,5-6,10,14,18H,2,4,7-9H2,1H3,(H,19,20).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide?
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).