N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C19H18ClFN2O2 — CID 4099523

IUPACN-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C19H18ClFN2O2/c1-13-4-9-16(11-17(13)20)23(12-22-10-2-3-18(22)24)19(25)14-5-7-15(21)8-6-14/h4-9,11H,2-3,10,12H2,1H3
InChIKeyXBZDZOXLLHMOPT-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.01
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 4099523) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID4099523
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C19H18ClFN2O2/c1-13-4-9-16(11-17(13)20)23(12-22-10-2-3-18(22)24)19(25)14-5-7-15(21)8-6-14/h4-9,11H,2-3,10,12H2,1H3
InChIKeyXBZDZOXLLHMOPT-UHFFFAOYSA-N
XLogP4.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651
N-ethyl-N-(4-fluorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198675
N-(3-chloro-4-fluorophenyl)-3,4,5-trimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3429451
N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4175486
5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide
CID 4148078
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4301432
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4134618
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 4099523) is N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is XBZDZOXLLHMOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-13-4-9-16(11-17(13)20)23(12-22-10-2-3-18(22)24)19(25)14-5-7-15(21)8-6-14/h4-9,11H,2-3,10,12H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 360.82 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 4099523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).