5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide

C16H21FN2O2 — CID 166241001

IUPAC5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCC(C3CC3)N2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-9-7-15(21-2)11(17)8-14(9)19-16(20)13-6-5-12(18-13)10-3-4-10/h7-8,10,12-13,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyAVHQOPDBEMFLFA-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.61
Rot. Bonds4

About 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide

5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 166241001) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID166241001
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCC(C3CC3)N2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-9-7-15(21-2)11(17)8-14(9)19-16(20)13-6-5-12(18-13)10-3-4-10/h7-8,10,12-13,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyAVHQOPDBEMFLFA-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471167
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
CID 126789448
N-(4-fluoro-3-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 114839778
N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 79590364
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
N-(2-chloro-5-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107528545
N-(3-methyl-4-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468996
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470767
N-(2,6-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470360

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide (CID 166241001) is 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide is COc1cc(C)c(NC(=O)C2CCC(C3CC3)N2)cc1F.
What is the InChIKey of 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is AVHQOPDBEMFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9-7-15(21-2)11(17)8-14(9)19-16(20)13-6-5-12(18-13)10-3-4-10/h7-8,10,12-13,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166241001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).