N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

C20H17F3N4O2 — CID 42474368

IUPACN-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1
InChIInChI=1S/C20H17F3N4O2/c1-12-24-17(11-18(25-12)29-2)26-15-6-8-16(9-7-15)27-19(28)13-4-3-5-14(10-13)20(21,22)23/h3-11H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyQFDSNECZEJHSBJ-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.81
Rot. Bonds5

About N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 42474368) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID42474368
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC NameN-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1
InChIInChI=1S/C20H17F3N4O2/c1-12-24-17(11-18(25-12)29-2)26-15-6-8-16(9-7-15)27-19(28)13-4-3-5-14(10-13)20(21,22)23/h3-11H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyQFDSNECZEJHSBJ-UHFFFAOYSA-N
XLogP4.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide 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

N-(2-aminophenyl)-4-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]benzamide
CID 20786069
N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478730
N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
CID 685677
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide
CID 1272740
N-{4-[(2,6-Dimethoxypyrimidin-4-YL)sulfamoyl]phenyl}-3-fluorobenzamide
CID 1182752
3-(trans-2-((cyclo-propylmethyl)amino) cyclopropyl)-N-(4-(4,6-dimethoxypyrimidin-2-yl)phenyl)benzamide trifluoroacetate
CID 118304820
N-(2,6-Dimethoxy-4-pyrimidinyl)benzamide
CID 3867896
N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
CID 702300
N-(2,6-dimethoxy-4-pyrimidinyl)-4-fluorobenzamide
CID 742738
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-fluorobenzamide
CID 1011028
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2,6-difluorobenzamide
CID 1184548
N-{4-[(2,6-Dimethoxypyrimidin-4-YL)sulfamoyl]phenyl}-3-(trifluoromethyl)benzamide
CID 2147460

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 42474368) is N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is COc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QFDSNECZEJHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-12-24-17(11-18(25-12)29-2)26-15-6-8-16(9-7-15)27-19(28)13-4-3-5-14(10-13)20(21,22)23/h3-11H,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 402.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42474368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).