2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide

C18H19ClF3N3O — CID 86716418

IUPAC2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide
SMILESO=C(NCC(CC1CC1)N1C=CC(C(F)(F)F)=NC1)c1ccccc1Cl
InChIInChI=1S/C18H19ClF3N3O/c19-15-4-2-1-3-14(15)17(26)23-10-13(9-12-5-6-12)25-8-7-16(24-11-25)18(20,21)22/h1-4,7-8,12-13H,5-6,9-11H2,(H,23,26)
InChIKeyJSHVYOQBCPYCHU-UHFFFAOYSA-N
MW385.82 g/mol
LogP4.03
Rot. Bonds6

About 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide

2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide (PubChem CID 86716418) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide
PubChem CID86716418
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC Name2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide
SMILESO=C(NCC(CC1CC1)N1C=CC(C(F)(F)F)=NC1)c1ccccc1Cl
InChIInChI=1S/C18H19ClF3N3O/c19-15-4-2-1-3-14(15)17(26)23-10-13(9-12-5-6-12)25-8-7-16(24-11-25)18(20,21)22/h1-4,7-8,12-13H,5-6,9-11H2,(H,23,26)
InChIKeyJSHVYOQBCPYCHU-UHFFFAOYSA-N
XLogP4.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide
CID 86716416
2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide
CID 86716285
2-chloro-N-[2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 86716390
2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-fluorobenzamide
CID 86716319
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
2,3-dichloro-N-[2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 86716370
2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
CID 47036707
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide (CID 86716418) is 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide is O=C(NCC(CC1CC1)N1C=CC(C(F)(F)F)=NC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide?
The InChIKey is JSHVYOQBCPYCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c19-15-4-2-1-3-14(15)17(26)23-10-13(9-12-5-6-12)25-8-7-16(24-11-25)18(20,21)22/h1-4,7-8,12-13H,5-6,9-11H2,(H,23,26).
What are the key properties of 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide?
2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide has a molecular weight of 385.82 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide is sourced from PubChem (CID 86716418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).