N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide

C19H21Cl2NO4 — CID 9091215

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C19H21Cl2NO4/c1-22(11-13-5-7-14(20)10-15(13)21)17(23)9-12-6-8-16(24-2)19(26-4)18(12)25-3/h5-8,10H,9,11H2,1-4H3
InChIKeyPEZNPOZDVSRVSE-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.22
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide

N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 9091215) has the molecular formula C19H21Cl2NO4 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID9091215
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.29 g/mol
Exact Mass397.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C19H21Cl2NO4/c1-22(11-13-5-7-14(20)10-15(13)21)17(23)9-12-6-8-16(24-2)19(26-4)18(12)25-3/h5-8,10H,9,11H2,1-4H3
InChIKeyPEZNPOZDVSRVSE-UHFFFAOYSA-N
XLogP4.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
(E)-N-[(2,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 9417727
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090069
N-(5-chloro-2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 17462179
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide
CID 24588892
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-methyl-2-naphthalen-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 26555249

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide (CID 9091215) is N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2Cl)c(OC)c1OC.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is PEZNPOZDVSRVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO4/c1-22(11-13-5-7-14(20)10-15(13)21)17(23)9-12-6-8-16(24-2)19(26-4)18(12)25-3/h5-8,10H,9,11H2,1-4H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 398.29 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 9091215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).