N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide

C18H16ClFN2O2 — CID 40896342

IUPACN-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
SMILESO=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1F
InChIInChI=1S/C18H16ClFN2O2/c19-13-5-7-14(8-6-13)22-11-12(9-17(22)23)10-21-18(24)15-3-1-2-4-16(15)20/h1-8,12H,9-11H2,(H,21,24)/t12-/m0/s1
InChIKeyLCZRUCZSKWSAPS-LBPRGKRZSA-N
MW346.79 g/mol
LogP3.26
Rot. Bonds4

About N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide

N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide (PubChem CID 40896342) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
PubChem CID40896342
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
SMILESO=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1F
InChIInChI=1S/C18H16ClFN2O2/c19-13-5-7-14(8-6-13)22-11-12(9-17(22)23)10-21-18(24)15-3-1-2-4-16(15)20/h1-8,12H,9-11H2,(H,21,24)/t12-/m0/s1
InChIKeyLCZRUCZSKWSAPS-LBPRGKRZSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
CID 16918924
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16918926
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40897867
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
5-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-nitrobenzamide
CID 16918708
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16918866
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide (CID 40896342) is N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide is O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1F.
What is the InChIKey of N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide?
The InChIKey is LCZRUCZSKWSAPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-13-5-7-14(8-6-13)22-11-12(9-17(22)23)10-21-18(24)15-3-1-2-4-16(15)20/h1-8,12H,9-11H2,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide?
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide has a molecular weight of 346.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 40896342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).