2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide

C15H14ClF2N3O — CID 71982948

IUPAC2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccncc1Cl
InChIInChI=1S/C15H14ClF2N3O/c1-21(8-10-2-3-19-7-14(10)16)9-15(22)20-13-5-11(17)4-12(18)6-13/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeySSUXMWOEKKXZEJ-UHFFFAOYSA-N
MW325.75 g/mol
LogP3.08
Rot. Bonds5

About 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide

2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide (PubChem CID 71982948) has the molecular formula C15H14ClF2N3O and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
PubChem CID71982948
Molecular FormulaC15H14ClF2N3O
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccncc1Cl
InChIInChI=1S/C15H14ClF2N3O/c1-21(8-10-2-3-19-7-14(10)16)9-15(22)20-13-5-11(17)4-12(18)6-13/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeySSUXMWOEKKXZEJ-UHFFFAOYSA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide
CID 84593889
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196482
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
N-(3,5-difluorophenyl)-2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]acetamide
CID 71873708
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9348445
2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9196861
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243408

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide (CID 71982948) is 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide is CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccncc1Cl.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is SSUXMWOEKKXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O/c1-21(8-10-2-3-19-7-14(10)16)9-15(22)20-13-5-11(17)4-12(18)6-13/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide?
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 325.75 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 71982948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).