N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide

C18H18F3N3O3 — CID 177328706

IUPACN-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
SMILESCC(C)Cc1ccn(C(NC=O)C(=O)c2ccc(C(F)(F)F)cc2)c(=O)n1
InChIInChI=1S/C18H18F3N3O3/c1-11(2)9-14-7-8-24(17(27)23-14)16(22-10-25)15(26)12-3-5-13(6-4-12)18(19,20)21/h3-8,10-11,16H,9H2,1-2H3,(H,22,25)
InChIKeyRNQJQIDAMARPCQ-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.59
Rot. Bonds7

About N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide

N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide (PubChem CID 177328706) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
PubChem CID177328706
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
SMILESCC(C)Cc1ccn(C(NC=O)C(=O)c2ccc(C(F)(F)F)cc2)c(=O)n1
InChIInChI=1S/C18H18F3N3O3/c1-11(2)9-14-7-8-24(17(27)23-14)16(22-10-25)15(26)12-3-5-13(6-4-12)18(19,20)21/h3-8,10-11,16H,9H2,1-2H3,(H,22,25)
InChIKeyRNQJQIDAMARPCQ-UHFFFAOYSA-N
XLogP2.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide 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

3-[4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one
CID 147259683
8,8-Difluoro-3-[2-[4-[6-(methylaminomethyl)-2,3,4,5-tetrahydropyridin-5-yl]phenyl]-2-oxoethyl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
CID 162619599
N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]formamide
CID 171098722
N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 171099145
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328680
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,5-difluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 177328764
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,4-difluorophenyl)-2-oxoethyl]formamide
CID 177328768
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 177328844
N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
CID 177328855
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(4-fluorophenyl)-2-oxoethyl]formamide
CID 177328858
N-[1-[4-[(1S,2R)-2-fluorocyclopropyl]-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328860
CID 178834654
CID 178834654

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide (CID 177328706) is N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide is CC(C)Cc1ccn(C(NC=O)C(=O)c2ccc(C(F)(F)F)cc2)c(=O)n1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide?
The InChIKey is RNQJQIDAMARPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-11(2)9-14-7-8-24(17(27)23-14)16(22-10-25)15(26)12-3-5-13(6-4-12)18(19,20)21/h3-8,10-11,16H,9H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide?
N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide has a molecular weight of 381.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide is sourced from PubChem (CID 177328706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).