2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide

C22H22Cl2F2N2O — CID 86716303

IUPAC2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide
SMILESO=C(NCC(CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)
InChIKeyOLJZHLVOYTZYEL-UHFFFAOYSA-N
MW439.33 g/mol
LogP6.21
Rot. Bonds8

About 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide

2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide (PubChem CID 86716303) has the molecular formula C22H22Cl2F2N2O and a molecular weight of 439.33 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide
PubChem CID86716303
Molecular FormulaC22H22Cl2F2N2O
Molecular Weight439.33 g/mol
Exact Mass438.11
IUPAC Name2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide
SMILESO=C(NCC(CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)
InChIKeyOLJZHLVOYTZYEL-UHFFFAOYSA-N
XLogP6.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.33
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide (CID 86716303) is 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide is O=C(NCC(CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide?
The InChIKey is OLJZHLVOYTZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29).
What are the key properties of 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide?
2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide has a molecular weight of 439.33 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyridinyl)-3-[1-(difluoromethyl)cyclopropyl]propyl]benzamide is sourced from PubChem (CID 86716303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).