N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide

C17H19Cl2N3O3 — CID 78878862

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCNc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C17H19Cl2N3O3/c1-24-13-3-4-15(25-2)11(7-13)8-16(23)20-5-6-21-17-14(19)9-12(18)10-22-17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRRIMDXFWVLQMIL-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.18
Rot. Bonds8

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 78878862) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID78878862
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCNc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C17H19Cl2N3O3/c1-24-13-3-4-15(25-2)11(7-13)8-16(23)20-5-6-21-17-14(19)9-12(18)10-22-17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRRIMDXFWVLQMIL-UHFFFAOYSA-N
XLogP3.18
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.18
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-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55723238
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55722270
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78878860
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55723051
2-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33099359
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
2-(2,5-dimethoxyphenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 78892262

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide (CID 78878862) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)NCCNc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is RRIMDXFWVLQMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-24-13-3-4-15(25-2)11(7-13)8-16(23)20-5-6-21-17-14(19)9-12(18)10-22-17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 384.26 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 78878862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).