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

C19H17Cl2FN2O2 — CID 34855876

IUPAC4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C19H17Cl2FN2O2/c1-23(11-14-15(21)4-2-5-16(14)22)19(26)13-8-7-12(20)10-17(13)24-9-3-6-18(24)25/h2,4-5,7-8,10H,3,6,9,11H2,1H3
InChIKeyNXKUGFSRILFDOU-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.53
Rot. Bonds4

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

4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 34855876) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID34855876
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C19H17Cl2FN2O2/c1-23(11-14-15(21)4-2-5-16(14)22)19(26)13-8-7-12(20)10-17(13)24-9-3-6-18(24)25/h2,4-5,7-8,10H,3,6,9,11H2,1H3
InChIKeyNXKUGFSRILFDOU-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 36670953
4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38303874
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325902
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32757723
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18112157
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482
4-chloro-N-[2-(2-fluorophenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 39996714
N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 18083832
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18079967
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide (CID 34855876) is 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is NXKUGFSRILFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c1-23(11-14-15(21)4-2-5-16(14)22)19(26)13-8-7-12(20)10-17(13)24-9-3-6-18(24)25/h2,4-5,7-8,10H,3,6,9,11H2,1H3.
What are the key properties of 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 395.26 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 34855876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).