N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide

C20H23ClN2O4 — CID 38621423

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(OC)c(CCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O4/c1-23(13-19(24)22-16-6-4-5-15(21)12-16)20(25)10-7-14-11-17(26-2)8-9-18(14)27-3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,22,24)
InChIKeyOXTGYWGCFOIWGQ-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide

N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 38621423) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
PubChem CID38621423
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(OC)c(CCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O4/c1-23(13-19(24)22-16-6-4-5-15(21)12-16)20(25)10-7-14-11-17(26-2)8-9-18(14)27-3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,22,24)
InChIKeyOXTGYWGCFOIWGQ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 38624172
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78806129
(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 9137199
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7936435
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate
CID 134112809
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 55771096
2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
CID 119352036
4-bromo-N-[2-(3-chloroanilino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 38622669
3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
CID 9220530

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide (CID 38621423) is N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide is COc1ccc(OC)c(CCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is OXTGYWGCFOIWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-23(13-19(24)22-16-6-4-5-15(21)12-16)20(25)10-7-14-11-17(26-2)8-9-18(14)27-3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 390.87 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 38621423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).