N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C20H20ClFN2O2 — CID 32757723

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-23(13-16-17(21)4-2-5-18(16)22)20(26)15-9-7-14(8-10-15)12-24-11-3-6-19(24)25/h2,4-5,7-10H,3,6,11-13H2,1H3
InChIKeyNQARKDBZJIQBEI-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.87
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 32757723) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID32757723
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-23(13-16-17(21)4-2-5-18(16)22)20(26)15-9-7-14(8-10-15)12-24-11-3-6-19(24)25/h2,4-5,7-10H,3,6,11-13H2,1H3
InChIKeyNQARKDBZJIQBEI-UHFFFAOYSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 18083832
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325902
N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047220
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34855876
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8749161
N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 36556294
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 32757723) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is NQARKDBZJIQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-23(13-16-17(21)4-2-5-18(16)22)20(26)15-9-7-14(8-10-15)12-24-11-3-6-19(24)25/h2,4-5,7-10H,3,6,11-13H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 374.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 32757723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).