N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C50H36ClF6N11O4 — CID 157362893

IUPACN-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccccc3)nc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H17ClF3N5O2.C25H19F3N6O2/c26-21-10-9-18(32-22(35)15-5-4-6-16(11-15)25(27,28)29)12-20(21)23(36)33-19-13-30-24(31-14-19)34-17-7-2-1-3-8-17;1-15-7-8-18(32-22(35)16-4-2-5-17(10-16)25(26,27)28)11-21(15)23(36)33-20-13-30-24(31-14-20)34-19-6-3-9-29-12-19/h1-14H,(H,32,35)(H,33,36)(H,30,31,34);2-14H,1H3,(H,32,35)(H,33,36)(H,30,31,34)
InChIKeyBIVPRXRKFZNPOG-UHFFFAOYSA-N
MW1004.35 g/mol
LogP11.84
Rot. Bonds12

About N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 157362893) has the molecular formula C50H36ClF6N11O4 and a molecular weight of 1004.35 g/mol. Its IUPAC name is N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID157362893
Molecular FormulaC50H36ClF6N11O4
Molecular Weight1004.35 g/mol
Exact Mass1003.25
IUPAC NameN-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccccc3)nc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H17ClF3N5O2.C25H19F3N6O2/c26-21-10-9-18(32-22(35)15-5-4-6-16(11-15)25(27,28)29)12-20(21)23(36)33-19-13-30-24(31-14-19)34-17-7-2-1-3-8-17;1-15-7-8-18(32-22(35)16-4-2-5-17(10-16)25(26,27)28)11-21(15)23(36)33-20-13-30-24(31-14-20)34-19-6-3-9-29-12-19/h1-14H,(H,32,35)(H,33,36)(H,30,31,34);2-14H,1H3,(H,32,35)(H,33,36)(H,30,31,34)
InChIKeyBIVPRXRKFZNPOG-UHFFFAOYSA-N
XLogP11.84
TPSA204.91 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001004.35
LogP ≤ 511.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide with MolForge

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Related Compounds

Aminopyrimidine amide, 18
CID 16118193
Aminopyrimidine amide, 13b
CID 16118737
2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide
CID 24823590
Aminopyrimidine amide, 29
CID 24823738
N-(4-chloro-3-(trifluoromethyl)phenyl)-4-methyl-3-(2-(methylamino)quinazolin-6-yl)benzamide
CID 16086102
2-methyl-N-[4-methyl-3-[[2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 44629659
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[[3-chloro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide
CID 71555942
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[(3-chlorobenzoyl)amino]-2-methylbenzamide
CID 71556002
N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 71556006
N-[2-[3-[di(prop-2-enoyl)amino]anilino]pyrimidin-5-yl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 71556766
N-(2-anilinopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 90644800
2-methyl-N-[2-[3-(trifluoromethyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 90644801

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 157362893) is N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccccc3)nc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is BIVPRXRKFZNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N5O2.C25H19F3N6O2/c26-21-10-9-18(32-22(35)15-5-4-6-16(11-15)25(27,28)29)12-20(21)23(36)33-19-13-30-24(31-14-19)34-17-7-2-1-3-8-17;1-15-7-8-18(32-22(35)16-4-2-5-17(10-16)25(26,27)28)11-21(15)23(36)33-20-13-30-24(31-14-20)34-19-6-3-9-29-12-19/h1-14H,(H,32,35)(H,33,36)(H,30,31,34);2-14H,1H3,(H,32,35)(H,33,36)(H,30,31,34).
What are the key properties of N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 1004.35 g/mol, XLogP of 11.84, 12 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 157362893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).