N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C14H18F2N2O — CID 106979573

IUPACN-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2cc(F)cc(F)c2)CCNC1
InChIInChI=1S/C14H18F2N2O/c1-9(2)14(3-4-17-8-14)13(19)18-12-6-10(15)5-11(16)7-12/h5-7,9,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyFVAYRRBRUGLVNZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.54
Rot. Bonds3

About N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979573) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979573
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2cc(F)cc(F)c2)CCNC1
InChIInChI=1S/C14H18F2N2O/c1-9(2)14(3-4-17-8-14)13(19)18-12-6-10(15)5-11(16)7-12/h5-7,9,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyFVAYRRBRUGLVNZ-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981090
3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
CID 106979653
N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981313
N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979652
N-(1-ethyl-6-oxo-3-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980000

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979573) is N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2cc(F)cc(F)c2)CCNC1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is FVAYRRBRUGLVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9(2)14(3-4-17-8-14)13(19)18-12-6-10(15)5-11(16)7-12/h5-7,9,17H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).