3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide

C20H19FN4O — CID 50826628

IUPAC3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H19FN4O/c1-2-9-22-19(26)15-6-4-8-18(11-15)25-20-23-12-16(13-24-20)14-5-3-7-17(21)10-14/h3-8,10-13H,2,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyFKVPWUBKSHASEK-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.17
Rot. Bonds6

About 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide

3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide (PubChem CID 50826628) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
PubChem CID50826628
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H19FN4O/c1-2-9-22-19(26)15-6-4-8-18(11-15)25-20-23-12-16(13-24-20)14-5-3-7-17(21)10-14/h3-8,10-13H,2,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyFKVPWUBKSHASEK-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50826704
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzoic acid
CID 154791909
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 164589472
N-(3,4-dichlorophenyl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 164589476
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide
CID 164589652
3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 174744657
N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826582
N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 93070931
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 50826567
N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide
CID 35439149
N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 164589962
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide (CID 50826628) is 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1.
What is the InChIKey of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
The InChIKey is FKVPWUBKSHASEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-9-22-19(26)15-6-4-8-18(11-15)25-20-23-12-16(13-24-20)14-5-3-7-17(21)10-14/h3-8,10-13H,2,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide has a molecular weight of 350.40 g/mol, XLogP of 4.17, 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-propylbenzamide is sourced from PubChem (CID 50826628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).