N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide

C18H20ClNO4 — CID 36843513

IUPACN-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC
InChIInChI=1S/C18H20ClNO4/c1-4-24-11-13-9-12(5-7-16(13)22-2)18(21)20-14-6-8-17(23-3)15(19)10-14/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyKSZKASVOERIFPC-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.15
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide

N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide (PubChem CID 36843513) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
PubChem CID36843513
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC
InChIInChI=1S/C18H20ClNO4/c1-4-24-11-13-9-12(5-7-16(13)22-2)18(21)20-14-6-8-17(23-3)15(19)10-14/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyKSZKASVOERIFPC-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 9079006
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 24516145
N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
CID 9086633
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
CID 9076960
3-(ethoxymethyl)-4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 24502664
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619600
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide (CID 36843513) is N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide is CCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
The InChIKey is KSZKASVOERIFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-4-24-11-13-9-12(5-7-16(13)22-2)18(21)20-14-6-8-17(23-3)15(19)10-14/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide has a molecular weight of 349.81 g/mol, XLogP of 4.15, 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-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide is sourced from PubChem (CID 36843513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).