2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C20H23ClN2O4 — CID 113161536

IUPAC2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(Cc2ccccc2C)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-13-7-5-6-8-15(13)11-23(14(2)24)12-20(25)22-17-10-18(26-3)16(21)9-19(17)27-4/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyHECPYZSXVSQQMW-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.65
Rot. Bonds7

About 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 113161536) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID113161536
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(Cc2ccccc2C)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-13-7-5-6-8-15(13)11-23(14(2)24)12-20(25)22-17-10-18(26-3)16(21)9-19(17)27-4/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyHECPYZSXVSQQMW-UHFFFAOYSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113162310
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113161478
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22195344
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 113161536) is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(Cc2ccccc2C)C(C)=O)c(OC)cc1Cl.
What is the InChIKey of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is HECPYZSXVSQQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-7-5-6-8-15(13)11-23(14(2)24)12-20(25)22-17-10-18(26-3)16(21)9-19(17)27-4/h5-10H,11-12H2,1-4H3,(H,22,25).
What are the key properties of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 390.87 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113161536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).