N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide

C14H14F2N4O — CID 166358351

IUPACN-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(C)(F)F)n2)cc1
InChIInChI=1S/C14H14F2N4O/c1-9(21)18-10-3-5-11(6-4-10)19-13-17-8-7-12(20-13)14(2,15)16/h3-8H,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyRBKLLVDGXSVKCU-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.29
Rot. Bonds4

About N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 166358351) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID166358351
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(C)(F)F)n2)cc1
InChIInChI=1S/C14H14F2N4O/c1-9(21)18-10-3-5-11(6-4-10)19-13-17-8-7-12(20-13)14(2,15)16/h3-8H,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyRBKLLVDGXSVKCU-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170731033
4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine
CID 178103545
5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide
CID 167914687
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905840
N-[4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112883612
N-[4-[[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905487
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide (CID 166358351) is N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nccc(C(C)(F)F)n2)cc1.
What is the InChIKey of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is RBKLLVDGXSVKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-9(21)18-10-3-5-11(6-4-10)19-13-17-8-7-12(20-13)14(2,15)16/h3-8H,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 292.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 166358351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).