2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide

C16H17Cl2N3O — CID 4822719

IUPAC2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-10-4-5-11(2)14(6-10)20-15(22)9-21(3)16-13(18)7-12(17)8-19-16/h4-8H,9H2,1-3H3,(H,20,22)
InChIKeyPNNWZOLMJNTYPK-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.08
Rot. Bonds4

About 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide

2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 4822719) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID4822719
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-10-4-5-11(2)14(6-10)20-15(22)9-21(3)16-13(18)7-12(17)8-19-16/h4-8H,9H2,1-3H3,(H,20,22)
InChIKeyPNNWZOLMJNTYPK-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 9110827
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7624263
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9041050
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7816336
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide (CID 4822719) is 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)c2ncc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is PNNWZOLMJNTYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-10-4-5-11(2)14(6-10)20-15(22)9-21(3)16-13(18)7-12(17)8-19-16/h4-8H,9H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide?
2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 338.24 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 4822719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).