2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide

C21H17Cl2F3N4O — CID 10162217

IUPAC2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F)NCc1cccc(Cl)c1
InChIInChI=1S/C21H17Cl2F3N4O/c22-14-5-3-4-13(8-14)10-28-18(31)9-15-16(23)11-29-20(19(15)24)30-12-21(25,26)17-6-1-2-7-27-17/h1-8,11H,9-10,12H2,(H,28,31)(H,29,30)
InChIKeyLJTDVSFXOFHLCN-UHFFFAOYSA-N
MW469.29 g/mol
LogP4.99
Rot. Bonds8

About 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide

2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 10162217) has the molecular formula C21H17Cl2F3N4O and a molecular weight of 469.29 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID10162217
Molecular FormulaC21H17Cl2F3N4O
Molecular Weight469.29 g/mol
Exact Mass468.07
IUPAC Name2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F)NCc1cccc(Cl)c1
InChIInChI=1S/C21H17Cl2F3N4O/c22-14-5-3-4-13(8-14)10-28-18(31)9-15-16(23)11-29-20(19(15)24)30-12-21(25,26)17-6-1-2-7-27-17/h1-8,11H,9-10,12H2,(H,28,31)(H,29,30)
InChIKeyLJTDVSFXOFHLCN-UHFFFAOYSA-N
XLogP4.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.29
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide with MolForge

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Related Compounds

tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate
CID 23000618
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide
CID 59085658
2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide
CID 59085850
N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
CID 71238548
tert-butyl N-[[2-[[[2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetyl]amino]methyl]phenyl]methyl]carbamate
CID 142154965
N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168756
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(propylaminomethyl)phenyl]methyl]acetamide;ethene
CID 142154972
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
CID 24765163
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide
CID 59088774
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide (CID 10162217) is 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide is O=C(Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is LJTDVSFXOFHLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F3N4O/c22-14-5-3-4-13(8-14)10-28-18(31)9-15-16(23)11-29-20(19(15)24)30-12-21(25,26)17-6-1-2-7-27-17/h1-8,11H,9-10,12H2,(H,28,31)(H,29,30).
What are the key properties of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 469.29 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 10162217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).