3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide

C26H21FN4O — CID 164589652

IUPAC3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1
InChIInChI=1S/C26H21FN4O/c27-22-10-4-6-18(14-22)20-16-28-25(29-17-20)30-23-11-5-7-19(15-23)24(32)31-26(12-13-26)21-8-2-1-3-9-21/h1-11,14-17H,12-13H2,(H,31,32)(H,28,29,30)
InChIKeyZVGROMAIZXVLRP-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.45
Rot. Bonds6

About 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide

3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide (PubChem CID 164589652) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide
PubChem CID164589652
Molecular FormulaC26H21FN4O
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC Name3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1
InChIInChI=1S/C26H21FN4O/c27-22-10-4-6-18(14-22)20-16-28-25(29-17-20)30-23-11-5-7-19(15-23)24(32)31-26(12-13-26)21-8-2-1-3-9-21/h1-11,14-17H,12-13H2,(H,31,32)(H,28,29,30)
InChIKeyZVGROMAIZXVLRP-UHFFFAOYSA-N
XLogP5.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzoic acid
CID 154791909
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 50826628
N-(3,4-dichlorophenyl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 164589476
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50826704
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 50826567
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 164589472
N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 164589962
3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]benzamide
CID 164589548
N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
CID 164590008
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 50826661

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide (CID 164589652) is 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide is O=C(NC1(c2ccccc2)CC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1.
What is the InChIKey of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide?
The InChIKey is ZVGROMAIZXVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O/c27-22-10-4-6-18(14-22)20-16-28-25(29-17-20)30-23-11-5-7-19(15-23)24(32)31-26(12-13-26)21-8-2-1-3-9-21/h1-11,14-17H,12-13H2,(H,31,32)(H,28,29,30).
What are the key properties of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide?
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide has a molecular weight of 424.48 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 164589652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).