3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide

C16H16Cl2N2O3 — CID 44571158

IUPAC3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-10(8-21)20-16(22)11-2-3-15(14(18)6-11)23-9-13-7-12(17)4-5-19-13/h2-7,10,21H,8-9H2,1H3,(H,20,22)
InChIKeyIUVOJBNHXGJEII-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.08
Rot. Bonds6

About 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide

3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 44571158) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID44571158
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-10(8-21)20-16(22)11-2-3-15(14(18)6-11)23-9-13-7-12(17)4-5-19-13/h2-7,10,21H,8-9H2,1H3,(H,20,22)
InChIKeyIUVOJBNHXGJEII-UHFFFAOYSA-N
XLogP3.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide (CID 44571158) is 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is IUVOJBNHXGJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-10(8-21)20-16(22)11-2-3-15(14(18)6-11)23-9-13-7-12(17)4-5-19-13/h2-7,10,21H,8-9H2,1H3,(H,20,22).
What are the key properties of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide?
3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 355.22 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 44571158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).