N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

C17H24FN3O2 — CID 56786314

IUPACN-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCC(C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)15(20-17(23)21-10-6-7-11-21)16(22)19-14-9-5-4-8-13(14)18/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,19,22)(H,20,23)/t12?,15-/m0/s1
InChIKeyBERVYUAUIBYTGO-CVRLYYSRSA-N
MW321.40 g/mol
LogP2.98
Rot. Bonds5

About N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 56786314) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
PubChem CID56786314
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCC(C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)15(20-17(23)21-10-6-7-11-21)16(22)19-14-9-5-4-8-13(14)18/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,19,22)(H,20,23)/t12?,15-/m0/s1
InChIKeyBERVYUAUIBYTGO-CVRLYYSRSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
CID 131961089
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
CID 6956443
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate
CID 55818084
4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide
CID 133269505
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95151911
N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide
CID 39948471
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (CID 56786314) is N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is BERVYUAUIBYTGO-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-3-12(2)15(20-17(23)21-10-6-7-11-21)16(22)19-14-9-5-4-8-13(14)18/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,19,22)(H,20,23)/t12?,15-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 56786314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).