3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

C18H19ClN2O3 — CID 2525613

IUPAC3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1CN(C)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(12-14-6-3-4-9-16(14)24-2)17(22)11-20-18(23)13-7-5-8-15(19)10-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyLWEFAYWDHOHLII-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.74
Rot. Bonds6

About 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 2525613) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID2525613
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1CN(C)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(12-14-6-3-4-9-16(14)24-2)17(22)11-20-18(23)13-7-5-8-15(19)10-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyLWEFAYWDHOHLII-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 2525613) is 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is COc1ccccc1CN(C)C(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is LWEFAYWDHOHLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(12-14-6-3-4-9-16(14)24-2)17(22)11-20-18(23)13-7-5-8-15(19)10-13/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2525613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).