N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide

C13H7F6N3O3 — CID 3526595

IUPACN-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6N3O3/c14-12(15,16)6-1-5(2-7(3-6)13(17,18)19)10(24)20-8-4-9(23)22-11(25)21-8/h1-4H,(H3,20,21,22,23,24,25)
InChIKeyUGZFIUDZBKIRBI-UHFFFAOYSA-N
MW367.21 g/mol
LogP2.35
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide

N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 3526595) has the molecular formula C13H7F6N3O3 and a molecular weight of 367.21 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID3526595
Molecular FormulaC13H7F6N3O3
Molecular Weight367.21 g/mol
Exact Mass367.04
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6N3O3/c14-12(15,16)6-1-5(2-7(3-6)13(17,18)19)10(24)20-8-4-9(23)22-11(25)21-8/h1-4H,(H3,20,21,22,23,24,25)
InChIKeyUGZFIUDZBKIRBI-UHFFFAOYSA-N
XLogP2.35
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 3436100
4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 4228393
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
CID 4152349
2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
CID 154840238
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
2-methyl-6-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698736
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
[[3,5-bis(trifluoromethyl)benzoyl]amino]thiourea
CID 2743161
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
2-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698735
N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 18684513

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide (CID 3526595) is N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is UGZFIUDZBKIRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N3O3/c14-12(15,16)6-1-5(2-7(3-6)13(17,18)19)10(24)20-8-4-9(23)22-11(25)21-8/h1-4H,(H3,20,21,22,23,24,25).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 367.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 3526595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).