N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide

C18H19ClN2O3 — CID 110790237

IUPACN-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-11-13(7-8-17(16)24-2)9-10-20-18(23)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHLMDUGXTWRIMAL-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide

N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide (PubChem CID 110790237) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
PubChem CID110790237
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-11-13(7-8-17(16)24-2)9-10-20-18(23)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHLMDUGXTWRIMAL-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide
CID 110790226
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110783955
2-chloro-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 9269951
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
N-[5-[[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide
CID 111358174
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17257152
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide (CID 110790237) is N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide is COc1ccc(CCNC(=O)c2ccccc2Cl)cc1NC(C)=O.
What is the InChIKey of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide?
The InChIKey is HLMDUGXTWRIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)21-16-11-13(7-8-17(16)24-2)9-10-20-18(23)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide?
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 110790237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).