1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide

C18H22FN3O — CID 42810388

IUPAC1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(F)c2)c1C(=O)NN1CCCC1
InChIInChI=1S/C18H22FN3O/c1-13-10-14(2)22(12-15-6-5-7-16(19)11-15)17(13)18(23)20-21-8-3-4-9-21/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,20,23)
InChIKeyOFQUNWMZLWMZPH-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.03
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide

1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide (PubChem CID 42810388) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide
PubChem CID42810388
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(F)c2)c1C(=O)NN1CCCC1
InChIInChI=1S/C18H22FN3O/c1-13-10-14(2)22(12-15-6-5-7-16(19)11-15)17(13)18(23)20-21-8-3-4-9-21/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,20,23)
InChIKeyOFQUNWMZLWMZPH-UHFFFAOYSA-N
XLogP3.03
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 46127402
1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carboxylic acid
CID 84616609
3,5-dimethyl-1-[(3-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrole-2-carboxamide
CID 5183141
2-chloro-1-[1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 43145781
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
CID 83968451
1-[(3,4-difluorophenyl)methyl]-3,5-dimethyl-N-[(1S)-1-phenylethyl]pyrrole-2-carboxamide
CID 7415422
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281859
[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 42848694
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810346
N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42792459

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide (CID 42810388) is 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide is Cc1cc(C)n(Cc2cccc(F)c2)c1C(=O)NN1CCCC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide?
The InChIKey is OFQUNWMZLWMZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13-10-14(2)22(12-15-6-5-7-16(19)11-15)17(13)18(23)20-21-8-3-4-9-21/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,20,23).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide?
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-pyrrolidin-1-ylpyrrole-2-carboxamide is sourced from PubChem (CID 42810388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).