2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

C17H15Cl2FN2O2 — CID 31182281

IUPAC2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-22(10-12-14(19)7-4-8-15(12)20)16(23)9-21-17(24)11-5-2-3-6-13(11)18/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyVJBVBOJKZTVKNU-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.52
Rot. Bonds5

About 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 31182281) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID31182281
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-22(10-12-14(19)7-4-8-15(12)20)16(23)9-21-17(24)11-5-2-3-6-13(11)18/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyVJBVBOJKZTVKNU-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
4-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 4794792
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
3-[[2-[(2-chlorobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 60988640
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 112769477
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680
N-[1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55330671

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 31182281) is 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is VJBVBOJKZTVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c1-22(10-12-14(19)7-4-8-15(12)20)16(23)9-21-17(24)11-5-2-3-6-13(11)18/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 369.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 31182281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).