2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C15H18ClFN2O2 — CID 52771363

IUPAC2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESC[C@@H](CNC(=O)c1c(F)cccc1Cl)CN1CCCC1=O
InChIInChI=1S/C15H18ClFN2O2/c1-10(9-19-7-3-6-13(19)20)8-18-15(21)14-11(16)4-2-5-12(14)17/h2,4-5,10H,3,6-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyPTYOOCPKZBMFAB-JTQLQIEISA-N
MW312.77 g/mol
LogP2.47
Rot. Bonds5

About 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide

2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 52771363) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID52771363
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESC[C@@H](CNC(=O)c1c(F)cccc1Cl)CN1CCCC1=O
InChIInChI=1S/C15H18ClFN2O2/c1-10(9-19-7-3-6-13(19)20)8-18-15(21)14-11(16)4-2-5-12(14)17/h2,4-5,10H,3,6-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyPTYOOCPKZBMFAB-JTQLQIEISA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
CID 167943228
2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 94813897
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-6-fluorobenzamide
CID 108540343
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
CID 115301115
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 52771363) is 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide is C[C@@H](CNC(=O)c1c(F)cccc1Cl)CN1CCCC1=O.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is PTYOOCPKZBMFAB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-10(9-19-7-3-6-13(19)20)8-18-15(21)14-11(16)4-2-5-12(14)17/h2,4-5,10H,3,6-9H2,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 312.77 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 52771363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).