N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide

C19H21FN2O2 — CID 86899147

IUPACN-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC1(C)CCCN1C(=O)Nc1c(F)cccc1Oc1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-19(2)12-7-13-22(19)18(23)21-17-15(20)10-6-11-16(17)24-14-8-4-3-5-9-14/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyHTWWXIWKPIBYOD-UHFFFAOYSA-N
MW328.39 g/mol
LogP5.02
Rot. Bonds3

About N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide

N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 86899147) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide
PubChem CID86899147
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC1(C)CCCN1C(=O)Nc1c(F)cccc1Oc1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-19(2)12-7-13-22(19)18(23)21-17-15(20)10-6-11-16(17)24-14-8-4-3-5-9-14/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyHTWWXIWKPIBYOD-UHFFFAOYSA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 75502909
3-bromo-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63219117
N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide
CID 86900798
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833695
N-(2-fluoro-6-phenoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 56782965
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
3,5-dibromo-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63219116
4-chloro-N-(2-fluoro-6-phenoxyphenyl)pyridine-2-carboxamide
CID 86897836
1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide
CID 86899172
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65499998
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide (CID 86899147) is N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide is CC1(C)CCCN1C(=O)Nc1c(F)cccc1Oc1ccccc1.
What is the InChIKey of N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is HTWWXIWKPIBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2)12-7-13-22(19)18(23)21-17-15(20)10-6-11-16(17)24-14-8-4-3-5-9-14/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide?
N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86899147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).