N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide

C27H21F4N5O2 — CID 91386658

IUPACN-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(CC(F)(F)F)ccc2F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C27H21F4N5O2/c1-16-7-9-19(34-25(38)22-11-17(8-10-23(22)28)13-27(29,30)31)12-21(16)24(37)35-20-14-32-26(33-15-20)36-18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3,(H,34,38)(H,35,37)(H,32,33,36)
InChIKeyGYWUBAVSLREROK-UHFFFAOYSA-N
MW523.49 g/mol
LogP6.28
Rot. Bonds7

About N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide

N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide (PubChem CID 91386658) has the molecular formula C27H21F4N5O2 and a molecular weight of 523.49 g/mol. Its IUPAC name is N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide
PubChem CID91386658
Molecular FormulaC27H21F4N5O2
Molecular Weight523.49 g/mol
Exact Mass523.16
IUPAC NameN-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(CC(F)(F)F)ccc2F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C27H21F4N5O2/c1-16-7-9-19(34-25(38)22-11-17(8-10-23(22)28)13-27(29,30)31)12-21(16)24(37)35-20-14-32-26(33-15-20)36-18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3,(H,34,38)(H,35,37)(H,32,33,36)
InChIKeyGYWUBAVSLREROK-UHFFFAOYSA-N
XLogP6.28
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide 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-[3-[di(propanoyl)amino]anilino]pyrimidin-5-yl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 90644807
N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 59652745
2-methyl-N-(2-methylpyrimidin-5-yl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 144732168
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[[3-(dimethylamino)benzoyl]amino]-2-methylbenzamide
CID 71556057
N-[2-[3-[[(2S)-2-(1-hydroxyprop-2-enylamino)-3-phenylpropanoyl]amino]anilino]pyrimidin-5-yl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 145293879
2-methyl-N-[2-[3-[[2-(prop-2-enoylamino)acetyl]amino]anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 71556703
5-[3-[[5-[[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]pyrimidin-2-yl]amino]anilino]-5-oxopentanoic acid;prop-2-enamide
CID 145293912
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
2-methyl-N-[2-[3-(prop-2-enoylamino)anilino]pyrimidin-5-yl]benzamide
CID 71556767
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide?
The IUPAC name of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide (CID 91386658) is N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide.
What is the SMILES notation for N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide?
The canonical SMILES for N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide is Cc1ccc(NC(=O)c2cc(CC(F)(F)F)ccc2F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1.
What is the InChIKey of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide?
The InChIKey is GYWUBAVSLREROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4N5O2/c1-16-7-9-19(34-25(38)22-11-17(8-10-23(22)28)13-27(29,30)31)12-21(16)24(37)35-20-14-32-26(33-15-20)36-18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3,(H,34,38)(H,35,37)(H,32,33,36).
What are the key properties of N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide?
N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide has a molecular weight of 523.49 g/mol, XLogP of 6.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinopyrimidin-5-yl)-5-[[2-fluoro-5-(2,2,2-trifluoroethyl)benzoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 91386658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).