N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide

C18H20ClNO4 — CID 110782051

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
SMILESCCOc1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1Cl
InChIInChI=1S/C18H20ClNO4/c1-4-24-17-6-5-12(7-16(17)19)11-20-18(21)13-8-14(22-2)10-15(9-13)23-3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyUUCILTFDUVROES-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.69
Rot. Bonds7

About N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide

N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 110782051) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID110782051
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
SMILESCCOc1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1Cl
InChIInChI=1S/C18H20ClNO4/c1-4-24-17-6-5-12(7-16(17)19)11-20-18(21)13-8-14(22-2)10-15(9-13)23-3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyUUCILTFDUVROES-UHFFFAOYSA-N
XLogP3.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-cyanoformamide
CID 115172175
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide (CID 110782051) is N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide is CCOc1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is UUCILTFDUVROES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-4-24-17-6-5-12(7-16(17)19)11-20-18(21)13-8-14(22-2)10-15(9-13)23-3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 349.81 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110782051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).