3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide

C17H14Cl2F2N2O3 — CID 21082886

IUPAC3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ncc(Cl)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H14Cl2F2N2O3/c18-11-6-12(19)15(22-7-11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
InChIKeyZIASZGXPYFVBPE-UHFFFAOYSA-N
MW403.21 g/mol
LogP5.03
Rot. Bonds7

About 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide

3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide (PubChem CID 21082886) has the molecular formula C17H14Cl2F2N2O3 and a molecular weight of 403.21 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
PubChem CID21082886
Molecular FormulaC17H14Cl2F2N2O3
Molecular Weight403.21 g/mol
Exact Mass402.03
IUPAC Name3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ncc(Cl)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H14Cl2F2N2O3/c18-11-6-12(19)15(22-7-11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
InChIKeyZIASZGXPYFVBPE-UHFFFAOYSA-N
XLogP5.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.21
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide (CID 21082886) is 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide is O=C(Nc1ncc(Cl)cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
The InChIKey is ZIASZGXPYFVBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O3/c18-11-6-12(19)15(22-7-11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24).
What are the key properties of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide has a molecular weight of 403.21 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 21082886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).