N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide

C21H15F6N3O2 — CID 90515701

IUPACN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H15F6N3O2/c22-20(23,24)15-8-14(9-16(10-15)21(25,26)27)19(32)28-6-7-30-12-29-17(11-18(30)31)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,28,32)
InChIKeyWVJUSXFUGZDZIY-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.38
Rot. Bonds5

About N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 90515701) has the molecular formula C21H15F6N3O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID90515701
Molecular FormulaC21H15F6N3O2
Molecular Weight455.36 g/mol
Exact Mass455.11
IUPAC NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H15F6N3O2/c22-20(23,24)15-8-14(9-16(10-15)21(25,26)27)19(32)28-6-7-30-12-29-17(11-18(30)31)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,28,32)
InChIKeyWVJUSXFUGZDZIY-UHFFFAOYSA-N
XLogP4.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 90515891
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 56724534
3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515527
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 90516106
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
CID 90515664
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 121120366
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethoxybenzamide
CID 90516111
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 90516097

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 90515701) is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is WVJUSXFUGZDZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N3O2/c22-20(23,24)15-8-14(9-16(10-15)21(25,26)27)19(32)28-6-7-30-12-29-17(11-18(30)31)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,28,32).
What are the key properties of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 455.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 90515701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).