5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C18H22FN3O3 — CID 94646964

IUPAC5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C18H22FN3O3/c1-11-8-13(11)18(25)21-15-5-4-12(19)9-14(15)17(24)20-10-16(23)22-6-2-3-7-22/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H,20,24)(H,21,25)/t11-,13-/m1/s1
InChIKeyZLXXNHYDQITJBB-DGCLKSJQSA-N
MW347.39 g/mol
LogP1.77
Rot. Bonds5

About 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 94646964) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID94646964
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C18H22FN3O3/c1-11-8-13(11)18(25)21-15-5-4-12(19)9-14(15)17(24)20-10-16(23)22-6-2-3-7-22/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H,20,24)(H,21,25)/t11-,13-/m1/s1
InChIKeyZLXXNHYDQITJBB-DGCLKSJQSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 111539616
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CID 110907403
cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95233166
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 124839611
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 71938305
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CID 60556282
5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110907395
N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 60589532
N-[3-(N-ethylanilino)propyl]-5-fluoro-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124838994
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 94646964) is 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ZLXXNHYDQITJBB-DGCLKSJQSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-11-8-13(11)18(25)21-15-5-4-12(19)9-14(15)17(24)20-10-16(23)22-6-2-3-7-22/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H,20,24)(H,21,25)/t11-,13-/m1/s1.
What are the key properties of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 347.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 94646964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).