N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide

C20H23ClN2O4 — CID 113054757

IUPACN-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(Cc1ccccc1Cl)C(C)=O
InChIInChI=1S/C20H23ClN2O4/c1-14(24)23(13-15-7-4-5-8-16(15)21)12-11-22-20(25)19-17(26-2)9-6-10-18(19)27-3/h4-10H,11-13H2,1-3H3,(H,22,25)
InChIKeyAVYOHNRBUAAMEB-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.14
Rot. Bonds8

About N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide

N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide (PubChem CID 113054757) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
PubChem CID113054757
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(Cc1ccccc1Cl)C(C)=O
InChIInChI=1S/C20H23ClN2O4/c1-14(24)23(13-15-7-4-5-8-16(15)21)12-11-22-20(25)19-17(26-2)9-6-10-18(19)27-3/h4-10H,11-13H2,1-3H3,(H,22,25)
InChIKeyAVYOHNRBUAAMEB-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113055841
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113053535
tert-butyl N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]carbamate
CID 113054791
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113054765
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,2-dimethylpropanamide
CID 113054741
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113162558
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113051989
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059990
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113054795

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide (CID 113054757) is N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN(Cc1ccccc1Cl)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is AVYOHNRBUAAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14(24)23(13-15-7-4-5-8-16(15)21)12-11-22-20(25)19-17(26-2)9-6-10-18(19)27-3/h4-10H,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide?
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113054757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).