2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide

C14H21ClN2O4 — CID 60652992

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-19-6-4-5-16-14(18)9-17-11-8-12(20-2)10(15)7-13(11)21-3/h7-8,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyCLHYBOGXXQXPHZ-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.92
Rot. Bonds9

About 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide

2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 60652992) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
PubChem CID60652992
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-19-6-4-5-16-14(18)9-17-11-8-12(20-2)10(15)7-13(11)21-3/h7-8,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyCLHYBOGXXQXPHZ-UHFFFAOYSA-N
XLogP1.92
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-(2-cyanoethyl)acetamide
CID 28572795
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 103412672
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997009
N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831420
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide (CID 60652992) is 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is CLHYBOGXXQXPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-19-6-4-5-16-14(18)9-17-11-8-12(20-2)10(15)7-13(11)21-3/h7-8,17H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 316.79 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60652992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).