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

C17H17Cl2NO4 — CID 17485942

IUPAC3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H17Cl2NO4/c1-22-14-4-10(5-15(23-2)16(14)24-3)9-20-17(21)11-6-12(18)8-13(19)7-11/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyACMPSUDOYCZDFQ-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.95
Rot. Bonds6

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

3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 17485942) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID17485942
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H17Cl2NO4/c1-22-14-4-10(5-15(23-2)16(14)24-3)9-20-17(21)11-6-12(18)8-13(19)7-11/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyACMPSUDOYCZDFQ-UHFFFAOYSA-N
XLogP3.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 17485942) is 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is ACMPSUDOYCZDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-22-14-4-10(5-15(23-2)16(14)24-3)9-20-17(21)11-6-12(18)8-13(19)7-11/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 370.23 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 17485942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).