2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C17H18ClNO3 — CID 674895

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-12(11-16(15)22-2)9-10-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyYFYXLTNMCQBKPV-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.33
Rot. Bonds6

About 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 674895) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID674895
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-12(11-16(15)22-2)9-10-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyYFYXLTNMCQBKPV-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
CID 831629
N-(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 689241
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(propan-2-yl)piperidin-4-yl]methyl}benzamide
CID 11465752
2-chloro-N-[(3S,4R)-1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
CID 134278801
Stk072897
CID 342164
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzamide
CID 822914
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 871055
2-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide
CID 1909740
Benzamide, 3,4-dimethoxy-N-dodecyl-
CID 4193156

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 674895) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is YFYXLTNMCQBKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-8-7-12(11-16(15)22-2)9-10-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 674895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).