N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide

C16H16F5N3O2 — CID 99696243

IUPACN-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide
SMILESC[C@H]1C[C@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CN1C1CC1
InChIInChI=1S/C16H16F5N3O2/c1-6-4-7(5-24(6)8-2-3-8)22-15(25)16(26)23-14-12(20)10(18)9(17)11(19)13(14)21/h6-8H,2-5H2,1H3,(H,22,25)(H,23,26)/t6-,7-/m0/s1
InChIKeyYTNOOAMTAMGECK-BQBZGAKWSA-N
MW377.31 g/mol
LogP2.06
Rot. Bonds3

About N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide

N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide (PubChem CID 99696243) has the molecular formula C16H16F5N3O2 and a molecular weight of 377.31 g/mol. Its IUPAC name is N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide
PubChem CID99696243
Molecular FormulaC16H16F5N3O2
Molecular Weight377.31 g/mol
Exact Mass377.12
IUPAC NameN-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide
SMILESC[C@H]1C[C@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CN1C1CC1
InChIInChI=1S/C16H16F5N3O2/c1-6-4-7(5-24(6)8-2-3-8)22-15(25)16(26)23-14-12(20)10(18)9(17)11(19)13(14)21/h6-8H,2-5H2,1H3,(H,22,25)(H,23,26)/t6-,7-/m0/s1
InChIKeyYTNOOAMTAMGECK-BQBZGAKWSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4881886
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 9116461
N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide
CID 2553582
2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 12546887
2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride
CID 12546888
N-[1-(4-Fluorophenyl)-2-oxopyrrolidin-3-YL]butanamide
CID 71839077
(2S)-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
CID 25228293
N-[(1-ethyl-2-pyrrolidinyl)methyl]-N'-(4-fluorophenyl)ethanediamide
CID 2955947
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(3-fluorophenyl)oxamide
CID 3156735
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(2-fluorophenyl)oxamide
CID 3156744
2-(4-Fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42911861
N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide
CID 86805064

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide?
The IUPAC name of N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide (CID 99696243) is N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide.
What is the SMILES notation for N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide?
The canonical SMILES for N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide is C[C@H]1C[C@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CN1C1CC1.
What is the InChIKey of N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide?
The InChIKey is YTNOOAMTAMGECK-BQBZGAKWSA-N. The full InChI is InChI=1S/C16H16F5N3O2/c1-6-4-7(5-24(6)8-2-3-8)22-15(25)16(26)23-14-12(20)10(18)9(17)11(19)13(14)21/h6-8H,2-5H2,1H3,(H,22,25)(H,23,26)/t6-,7-/m0/s1.
What are the key properties of N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide?
N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide has a molecular weight of 377.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide is sourced from PubChem (CID 99696243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).