N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide

C18H15F2N5O — CID 112905840

IUPACN-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C18H15F2N5O/c1-11(26)22-12-5-7-13(8-6-12)23-18-21-10-9-16(25-18)24-17-14(19)3-2-4-15(17)20/h2-10H,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyJPMOBXGCXKHMMJ-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.20
Rot. Bonds5

About N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112905840) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112905840
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C18H15F2N5O/c1-11(26)22-12-5-7-13(8-6-12)23-18-21-10-9-16(25-18)24-17-14(19)3-2-4-15(17)20/h2-10H,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyJPMOBXGCXKHMMJ-UHFFFAOYSA-N
XLogP4.20
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(2,6-difluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931571
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
N-[4-[[4-(3-chloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112903681
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832
N-(4-acetamidophenyl)-2-(2,6-difluoroanilino)pyridine-4-carboxamide
CID 109178580
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
N-[4-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117094486
N-[4-[[2-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086853
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222
N-[3-[[2-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112903173

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 112905840) is N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nccc(Nc3c(F)cccc3F)n2)cc1.
What is the InChIKey of N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is JPMOBXGCXKHMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-11(26)22-12-5-7-13(8-6-12)23-18-21-10-9-16(25-18)24-17-14(19)3-2-4-15(17)20/h2-10H,1H3,(H,22,26)(H2,21,23,24,25).
What are the key properties of N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 355.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112905840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).