3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide

C17H18F2N2O2 — CID 50983287

IUPAC3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O2/c1-2-14(11-22)21(10-13-5-3-4-8-20-13)17(23)12-6-7-15(18)16(19)9-12/h3-9,14,22H,2,10-11H2,1H3
InChIKeyJYUCWEXPMDCGOE-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.77
Rot. Bonds6

About 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide

3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 50983287) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID50983287
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O2/c1-2-14(11-22)21(10-13-5-3-4-8-20-13)17(23)12-6-7-15(18)16(19)9-12/h3-9,14,22H,2,10-11H2,1H3
InChIKeyJYUCWEXPMDCGOE-UHFFFAOYSA-N
XLogP2.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 50983287) is 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide is CCC(CO)N(Cc1ccccn1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is JYUCWEXPMDCGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-2-14(11-22)21(10-13-5-3-4-8-20-13)17(23)12-6-7-15(18)16(19)9-12/h3-9,14,22H,2,10-11H2,1H3.
What are the key properties of 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 320.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 50983287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).