2-(5-chloro-2,4-dimethoxyanilino)acetamide

C10H13ClN2O3 — CID 28576076

IUPAC2-(5-chloro-2,4-dimethoxyanilino)acetamide
SMILESCOc1cc(OC)c(NCC(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-15-8-4-9(16-2)7(3-6(8)11)13-5-10(12)14/h3-4,13H,5H2,1-2H3,(H2,12,14)
InChIKeyUCHGBRFLVXFXNH-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.25
Rot. Bonds5

About 2-(5-chloro-2,4-dimethoxyanilino)acetamide

2-(5-chloro-2,4-dimethoxyanilino)acetamide (PubChem CID 28576076) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyanilino)acetamide
PubChem CID28576076
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-(5-chloro-2,4-dimethoxyanilino)acetamide
SMILESCOc1cc(OC)c(NCC(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-15-8-4-9(16-2)7(3-6(8)11)13-5-10(12)14/h3-4,13H,5H2,1-2H3,(H2,12,14)
InChIKeyUCHGBRFLVXFXNH-UHFFFAOYSA-N
XLogP1.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropanoate
CID 79629813
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643699
methyl 4-(5-chloro-2,4-dimethoxyanilino)butanoate
CID 43377856
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
3-(5-chloro-2,4-dimethoxyanilino)-N'-hydroxypropanimidamide
CID 77025331
3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
CID 43312033
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)acetamide?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)acetamide (CID 28576076) is 2-(5-chloro-2,4-dimethoxyanilino)acetamide.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyanilino)acetamide?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyanilino)acetamide is COc1cc(OC)c(NCC(N)=O)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyanilino)acetamide?
The InChIKey is UCHGBRFLVXFXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-15-8-4-9(16-2)7(3-6(8)11)13-5-10(12)14/h3-4,13H,5H2,1-2H3,(H2,12,14).
What are the key properties of 2-(5-chloro-2,4-dimethoxyanilino)acetamide?
2-(5-chloro-2,4-dimethoxyanilino)acetamide has a molecular weight of 244.68 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 28576076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).