3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

C18H18Cl2N2O3 — CID 41437401

IUPAC3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-22(11-13-9-15(20)6-7-16(13)25-2)17(23)10-21-18(24)12-4-3-5-14(19)8-12/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyGMPPDDUJIDNWBX-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.39
Rot. Bonds6

About 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 41437401) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID41437401
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-22(11-13-9-15(20)6-7-16(13)25-2)17(23)10-21-18(24)12-4-3-5-14(19)8-12/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyGMPPDDUJIDNWBX-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 17438069
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86910523
N-[2-[(2,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 9417663
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9469935
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(5-chloro-2-methoxyphenyl)methyl]-3-cyano-N-methylbenzamide
CID 30857850
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 41437401) is 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is COc1ccc(Cl)cc1CN(C)C(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is GMPPDDUJIDNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-22(11-13-9-15(20)6-7-16(13)25-2)17(23)10-21-18(24)12-4-3-5-14(19)8-12/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 381.26 g/mol, XLogP of 3.39, 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-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 41437401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).