N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide

C18H18F2N2O2 — CID 86896565

IUPACN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(c3ccc(F)cc3F)C2)c1O
InChIInChI=1S/C18H18F2N2O2/c1-11-3-2-4-14(17(11)23)18(24)21-13-7-8-22(10-13)16-6-5-12(19)9-15(16)20/h2-6,9,13,23H,7-8,10H2,1H3,(H,21,24)
InChIKeyYSBQXILEIAGCIV-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.99
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide

N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide (PubChem CID 86896565) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
PubChem CID86896565
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(c3ccc(F)cc3F)C2)c1O
InChIInChI=1S/C18H18F2N2O2/c1-11-3-2-4-14(17(11)23)18(24)21-13-7-8-22(10-13)16-6-5-12(19)9-15(16)20/h2-6,9,13,23H,7-8,10H2,1H3,(H,21,24)
InChIKeyYSBQXILEIAGCIV-UHFFFAOYSA-N
XLogP2.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 56782524
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
CID 95614867
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 95348554
5-[[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 124682768
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56782313
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 95293761
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-methylbenzamide
CID 47053983
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
CID 86896048
N-tert-butyl-3-[[[N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111920582

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide (CID 86896565) is N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC2CCN(c3ccc(F)cc3F)C2)c1O.
What is the InChIKey of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide?
The InChIKey is YSBQXILEIAGCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11-3-2-4-14(17(11)23)18(24)21-13-7-8-22(10-13)16-6-5-12(19)9-15(16)20/h2-6,9,13,23H,7-8,10H2,1H3,(H,21,24).
What are the key properties of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide?
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide has a molecular weight of 332.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 86896565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).