2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide

C19H19ClF3N3O2 — CID 86716342

IUPAC2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(CC2CC2)c2cnc(C(F)(F)F)nc2)c1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-28-15-4-2-3-14(16(15)20)17(27)24-8-12(7-11-5-6-11)13-9-25-18(26-10-13)19(21,22)23/h2-4,9-12H,5-8H2,1H3,(H,24,27)
InChIKeyHJUJINBFFMFWOK-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.47
Rot. Bonds7

About 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide

2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide (PubChem CID 86716342) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide
PubChem CID86716342
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC Name2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(CC2CC2)c2cnc(C(F)(F)F)nc2)c1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-28-15-4-2-3-14(16(15)20)17(27)24-8-12(7-11-5-6-11)13-9-25-18(26-10-13)19(21,22)23/h2-4,9-12H,5-8H2,1H3,(H,24,27)
InChIKeyHJUJINBFFMFWOK-UHFFFAOYSA-N
XLogP4.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide?
The IUPAC name of 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide (CID 86716342) is 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(CC2CC2)c2cnc(C(F)(F)F)nc2)c1Cl.
What is the InChIKey of 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide?
The InChIKey is HJUJINBFFMFWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-28-15-4-2-3-14(16(15)20)17(27)24-8-12(7-11-5-6-11)13-9-25-18(26-10-13)19(21,22)23/h2-4,9-12H,5-8H2,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide?
2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide has a molecular weight of 413.83 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxybenzamide is sourced from PubChem (CID 86716342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).