N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide

C17H14F5N3O — CID 71797047

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5N3O/c18-11-4-3-10(7-12(11)19)16(26)23-6-5-15-24-13(9-1-2-9)8-14(25-15)17(20,21)22/h3-4,7-9H,1-2,5-6H2,(H,23,26)
InChIKeyPMKIPCIOBVUVAJ-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.62
Rot. Bonds5

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide (PubChem CID 71797047) has the molecular formula C17H14F5N3O and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide
PubChem CID71797047
Molecular FormulaC17H14F5N3O
Molecular Weight371.31 g/mol
Exact Mass371.11
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5N3O/c18-11-4-3-10(7-12(11)19)16(26)23-6-5-15-24-13(9-1-2-9)8-14(25-15)17(20,21)22/h3-4,7-9H,1-2,5-6H2,(H,23,26)
InChIKeyPMKIPCIOBVUVAJ-UHFFFAOYSA-N
XLogP3.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 71797087
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide
CID 71797031
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide
CID 71797067
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 77085196
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-difluorobenzamide
CID 110401260
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
CID 110369952
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71797090
N-[N-cyclobutyl-C-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbonimidoyl]-3,4-difluorobenzamide
CID 147964287

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide (CID 71797047) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide is O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide?
The InChIKey is PMKIPCIOBVUVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O/c18-11-4-3-10(7-12(11)19)16(26)23-6-5-15-24-13(9-1-2-9)8-14(25-15)17(20,21)22/h3-4,7-9H,1-2,5-6H2,(H,23,26).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide has a molecular weight of 371.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 71797047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).