3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide

C19H22ClNO5 — CID 55662530

IUPAC3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22ClNO5/c1-23-8-9-26-15-6-4-13(5-7-15)12-21-19(22)14-10-16(20)18(25-3)17(11-14)24-2/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyWCRGXUPJGVVXPU-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.31
Rot. Bonds9

About 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide

3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide (PubChem CID 55662530) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
PubChem CID55662530
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Name3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22ClNO5/c1-23-8-9-26-15-6-4-13(5-7-15)12-21-19(22)14-10-16(20)18(25-3)17(11-14)24-2/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyWCRGXUPJGVVXPU-UHFFFAOYSA-N
XLogP3.31
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 14796219
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide (CID 55662530) is 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide is COCCOc1ccc(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide?
The InChIKey is WCRGXUPJGVVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO5/c1-23-8-9-26-15-6-4-13(5-7-15)12-21-19(22)14-10-16(20)18(25-3)17(11-14)24-2/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide?
3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide has a molecular weight of 379.84 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55662530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).