2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C20H23ClN2O4 — CID 113171882

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-13-5-7-16(21)10-17(13)23(14(2)24)12-20(25)22-11-15-6-8-18(26-3)19(9-15)27-4/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyVLONKEKQHBJDLW-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.33
Rot. Bonds7

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 113171882) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID113171882
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-13-5-7-16(21)10-17(13)23(14(2)24)12-20(25)22-11-15-6-8-18(26-3)19(9-15)27-4/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyVLONKEKQHBJDLW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113170289
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27245883
2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 113171882) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C(C)=O)c2cc(Cl)ccc2C)cc1OC.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is VLONKEKQHBJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-5-7-16(21)10-17(13)23(14(2)24)12-20(25)22-11-15-6-8-18(26-3)19(9-15)27-4/h5-10H,11-12H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 390.87 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113171882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).