N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C14H19FN2O — CID 106979554

IUPACN-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccc(F)cc2)CCNC1
InChIInChI=1S/C14H19FN2O/c1-10(2)14(7-8-16-9-14)13(18)17-12-5-3-11(15)4-6-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyBBSXSJPFSCFJJG-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.40
Rot. Bonds3

About N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979554) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979554
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccc(F)cc2)CCNC1
InChIInChI=1S/C14H19FN2O/c1-10(2)14(7-8-16-9-14)13(18)17-12-5-3-11(15)4-6-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyBBSXSJPFSCFJJG-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
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
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
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-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
N-(1-ethyl-6-oxo-3-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980000
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981090
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979554) is N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2ccc(F)cc2)CCNC1.
What is the InChIKey of N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BBSXSJPFSCFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(2)14(7-8-16-9-14)13(18)17-12-5-3-11(15)4-6-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).