4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide

C18H19ClN2O5 — CID 71863401

IUPAC4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
SMILESCOc1cc(NC(=O)CCOc2ccc(C(N)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H19ClN2O5/c1-24-15-10-14(16(25-2)9-13(15)19)21-17(22)7-8-26-12-5-3-11(4-6-12)18(20)23/h3-6,9-10H,7-8H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyJUNJUMWNFMPAFG-UHFFFAOYSA-N
MW378.81 g/mol
LogP2.86
Rot. Bonds8

About 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide

4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide (PubChem CID 71863401) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
PubChem CID71863401
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
SMILESCOc1cc(NC(=O)CCOc2ccc(C(N)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H19ClN2O5/c1-24-15-10-14(16(25-2)9-13(15)19)21-17(22)7-8-26-12-5-3-11(4-6-12)18(20)23/h3-6,9-10H,7-8H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyJUNJUMWNFMPAFG-UHFFFAOYSA-N
XLogP2.86
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26620549
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 38700799
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840691
N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
CID 6471423

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide (CID 71863401) is 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide is COc1cc(NC(=O)CCOc2ccc(C(N)=O)cc2)c(OC)cc1Cl.
What is the InChIKey of 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide?
The InChIKey is JUNJUMWNFMPAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-24-15-10-14(16(25-2)9-13(15)19)21-17(22)7-8-26-12-5-3-11(4-6-12)18(20)23/h3-6,9-10H,7-8H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide?
4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide has a molecular weight of 378.81 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide is sourced from PubChem (CID 71863401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).