N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide

C15H22FN3O — CID 119873541

IUPACN-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CC1CCCN1
InChIInChI=1S/C15H22FN3O/c1-10(2)18-14-8-11(16)5-6-13(14)19-15(20)9-12-4-3-7-17-12/h5-6,8,10,12,17-18H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyLZVLJXOHYRSKAN-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.73
Rot. Bonds5

About N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide

N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119873541) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119873541
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CC1CCCN1
InChIInChI=1S/C15H22FN3O/c1-10(2)18-14-8-11(16)5-6-13(14)19-15(20)9-12-4-3-7-17-12/h5-6,8,10,12,17-18H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyLZVLJXOHYRSKAN-UHFFFAOYSA-N
XLogP2.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119756535
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119702559
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856692
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119795514
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778655
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711100
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
CID 113433582

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119873541) is N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide is CC(C)Nc1cc(F)ccc1NC(=O)CC1CCCN1.
What is the InChIKey of N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is LZVLJXOHYRSKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(2)18-14-8-11(16)5-6-13(14)19-15(20)9-12-4-3-7-17-12/h5-6,8,10,12,17-18H,3-4,7,9H2,1-2H3,(H,19,20).
What are the key properties of N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 279.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119873541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).