N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide

C16H19F2N5O — CID 124754915

IUPACN-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
SMILESCc1nc([C@H]2CCCN2CCC(=O)Nc2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C16H19F2N5O/c1-10-19-16(22-21-10)14-3-2-7-23(14)8-6-15(24)20-13-9-11(17)4-5-12(13)18/h4-5,9,14H,2-3,6-8H2,1H3,(H,20,24)(H,19,21,22)/t14-/m1/s1
InChIKeyPEYSPUNIDRYESZ-CQSZACIVSA-N
MW335.36 g/mol
LogP2.56
Rot. Bonds5

About N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide

N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide (PubChem CID 124754915) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
PubChem CID124754915
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC NameN-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
SMILESCc1nc([C@H]2CCCN2CCC(=O)Nc2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C16H19F2N5O/c1-10-19-16(22-21-10)14-3-2-7-23(14)8-6-15(24)20-13-9-11(17)4-5-12(13)18/h4-5,9,14H,2-3,6-8H2,1H3,(H,20,24)(H,19,21,22)/t14-/m1/s1
InChIKeyPEYSPUNIDRYESZ-CQSZACIVSA-N
XLogP2.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylic acid
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N-(2-chloro-4,6-dimethylphenyl)-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
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N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
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2-(2-chloro-4-fluorophenyl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
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2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide
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N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide (CID 124754915) is N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide is Cc1nc([C@H]2CCCN2CCC(=O)Nc2cc(F)ccc2F)n[nH]1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is PEYSPUNIDRYESZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-10-19-16(22-21-10)14-3-2-7-23(14)8-6-15(24)20-13-9-11(17)4-5-12(13)18/h4-5,9,14H,2-3,6-8H2,1H3,(H,20,24)(H,19,21,22)/t14-/m1/s1.
What are the key properties of N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide?
N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 335.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124754915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).