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

C18H20ClNO4 — CID 110763510

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO4/c1-22-13-5-6-14(15(19)11-13)18(21)20-9-8-12-4-7-16(23-2)17(10-12)24-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyHXTVTCAFCCTJKX-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.34
Rot. Bonds7

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

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 110763510) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID110763510
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO4/c1-22-13-5-6-14(15(19)11-13)18(21)20-9-8-12-4-7-16(23-2)17(10-12)24-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyHXTVTCAFCCTJKX-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
2-chloro-N-[3-(3,4-dimethoxyphenyl)propyl]-4-nitrobenzamide
CID 48586122
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (CID 110763510) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is HXTVTCAFCCTJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-22-13-5-6-14(15(19)11-13)18(21)20-9-8-12-4-7-16(23-2)17(10-12)24-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 349.81 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 110763510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).