N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide

C20H23ClN2O4 — CID 113059902

IUPACN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(C)=O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-9-16(21)5-6-19(13)23(14(2)24)8-7-22-20(25)15-10-17(26-3)12-18(11-15)27-4/h5-6,9-12H,7-8H2,1-4H3,(H,22,25)
InChIKeyLGOJILSDDWOINC-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide

N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113059902) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
PubChem CID113059902
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(C)=O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-9-16(21)5-6-19(13)23(14(2)24)8-7-22-20(25)15-10-17(26-3)12-18(11-15)27-4/h5-6,9-12H,7-8H2,1-4H3,(H,22,25)
InChIKeyLGOJILSDDWOINC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 110664504
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113059951
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide (CID 113059902) is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCN(C(C)=O)c2ccc(Cl)cc2C)c1.
What is the InChIKey of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is LGOJILSDDWOINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-9-16(21)5-6-19(13)23(14(2)24)8-7-22-20(25)15-10-17(26-3)12-18(11-15)27-4/h5-6,9-12H,7-8H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide?
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113059902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).