2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C18H20ClNO4 — CID 113095840

IUPAC2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C)C(=O)c2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H20ClNO4/c1-20(18(21)13-7-5-6-8-14(13)19)11-12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,11H2,1-4H3
InChIKeyUEADVIRDODJJEQ-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.64
Rot. Bonds6

About 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 113095840) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID113095840
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C)C(=O)c2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H20ClNO4/c1-20(18(21)13-7-5-6-8-14(13)19)11-12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,11H2,1-4H3
InChIKeyUEADVIRDODJJEQ-UHFFFAOYSA-N
XLogP3.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27315980
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8916173
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 113095840) is 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CN(C)C(=O)c2ccccc2Cl)cc(OC)c1OC.
What is the InChIKey of 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is UEADVIRDODJJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-20(18(21)13-7-5-6-8-14(13)19)11-12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,11H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 349.81 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 113095840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).