2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide

C18H12F3N3O2 — CID 71286093

IUPAC2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(c1ccnc(Oc2ccccc2)n1)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)24(13-7-3-1-4-8-13)16(25)15-11-12-22-17(23-15)26-14-9-5-2-6-10-14/h1-12H
InChIKeySIIWDRRNPGOPTO-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.44
Rot. Bonds4

About 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide

2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 71286093) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID71286093
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(c1ccnc(Oc2ccccc2)n1)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)24(13-7-3-1-4-8-13)16(25)15-11-12-22-17(23-15)26-14-9-5-2-6-10-14/h1-12H
InChIKeySIIWDRRNPGOPTO-UHFFFAOYSA-N
XLogP4.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenoxypyrimidin-4-yl)ethanone
CID 142223443
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314355
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea
CID 15700483
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
2-[4-(benzenesulfonyl)phenoxy]-4-(trifluoromethyl)pyrimidine
CID 71891804
N-methyl-6-phenoxy-N-phenylpyridine-2-carboxamide
CID 59881185
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497
2-phenoxypyridine-4-carboxylic acid
CID 21494431
2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
CID 56944922
N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 143232156

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide (CID 71286093) is 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(c1ccnc(Oc2ccccc2)n1)N(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is SIIWDRRNPGOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)24(13-7-3-1-4-8-13)16(25)15-11-12-22-17(23-15)26-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide?
2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 71286093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).