2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide

C19H17FN4O — CID 133476327

IUPAC2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccnc(Cc2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-15-8-6-14(7-9-15)18(19(21)25)24-16-10-11-22-17(23-16)12-13-4-2-1-3-5-13/h1-11,18H,12H2,(H2,21,25)(H,22,23,24)
InChIKeyFGLUKBJXTKWEQI-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.85
Rot. Bonds6

About 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide

2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide (PubChem CID 133476327) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
PubChem CID133476327
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccnc(Cc2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-15-8-6-14(7-9-15)18(19(21)25)24-16-10-11-22-17(23-16)12-13-4-2-1-3-5-13/h1-11,18H,12H2,(H2,21,25)(H,22,23,24)
InChIKeyFGLUKBJXTKWEQI-UHFFFAOYSA-N
XLogP2.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-[(4-phenylquinazolin-2-yl)amino]acetamide
CID 133476242
2-[(6,7-dichloroquinoxalin-2-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476267
3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide
CID 166321402
2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide
CID 133476335
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
(2R)-2-(4-fluorophenyl)-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 100749906
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476266
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-[(6-cyano-2-pyridinyl)amino]-2-phenylacetamide
CID 133392006

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide (CID 133476327) is 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide is NC(=O)C(Nc1ccnc(Cc2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
The InChIKey is FGLUKBJXTKWEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-8-6-14(7-9-15)18(19(21)25)24-16-10-11-22-17(23-16)12-13-4-2-1-3-5-13/h1-11,18H,12H2,(H2,21,25)(H,22,23,24).
What are the key properties of 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 336.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133476327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).