N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide

C19H17FN4O — CID 133404406

IUPACN-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
SMILESCc1cnc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C19H17FN4O/c1-13-10-21-19(22-11-13)23-12-14-2-4-15(5-3-14)18(25)24-17-8-6-16(20)7-9-17/h2-11H,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyHPGIOPLYOLBWKW-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.79
Rot. Bonds5

About N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide

N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide (PubChem CID 133404406) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
PubChem CID133404406
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
SMILESCc1cnc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C19H17FN4O/c1-13-10-21-19(22-11-13)23-12-14-2-4-15(5-3-14)18(25)24-17-8-6-16(20)7-9-17/h2-11H,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyHPGIOPLYOLBWKW-UHFFFAOYSA-N
XLogP3.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
CID 122144317
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzoic acid
CID 55163403
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256337

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide (CID 133404406) is N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide is Cc1cnc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide?
The InChIKey is HPGIOPLYOLBWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-10-21-19(22-11-13)23-12-14-2-4-15(5-3-14)18(25)24-17-8-6-16(20)7-9-17/h2-11H,12H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide?
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 133404406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).