2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide

C19H19ClF3N3O — CID 148868144

IUPAC2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide
SMILESO=C(NCC(CC1(CF)CC1)c1cnc(C(F)F)nc1)c1ccccc1Cl
InChIInChI=1S/C19H19ClF3N3O/c20-15-4-2-1-3-14(15)18(27)26-8-12(7-19(11-21)5-6-19)13-9-24-17(16(22)23)25-10-13/h1-4,9-10,12,16H,5-8,11H2,(H,26,27)
InChIKeyPAQAQRSVOPAEGQ-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.72
Rot. Bonds8

About 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide

2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide (PubChem CID 148868144) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide
PubChem CID148868144
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide
SMILESO=C(NCC(CC1(CF)CC1)c1cnc(C(F)F)nc1)c1ccccc1Cl
InChIInChI=1S/C19H19ClF3N3O/c20-15-4-2-1-3-14(15)18(27)26-8-12(7-19(11-21)5-6-19)13-9-24-17(16(22)23)25-10-13/h1-4,9-10,12,16H,5-8,11H2,(H,26,27)
InChIKeyPAQAQRSVOPAEGQ-UHFFFAOYSA-N
XLogP4.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide (CID 148868144) is 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide is O=C(NCC(CC1(CF)CC1)c1cnc(C(F)F)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide?
The InChIKey is PAQAQRSVOPAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c20-15-4-2-1-3-14(15)18(27)26-8-12(7-19(11-21)5-6-19)13-9-24-17(16(22)23)25-10-13/h1-4,9-10,12,16H,5-8,11H2,(H,26,27).
What are the key properties of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide?
2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide has a molecular weight of 397.83 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide is sourced from PubChem (CID 148868144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).