3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide

C16H17ClN2O2 — CID 110762427

IUPAC3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(2)21-15-7-6-12(9-14(15)17)16(20)19-10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyIMMIXDINUCOPAU-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.45
Rot. Bonds5

About 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide

3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 110762427) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID110762427
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(2)21-15-7-6-12(9-14(15)17)16(20)19-10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyIMMIXDINUCOPAU-UHFFFAOYSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide
CID 110782158
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419
3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide
CID 143134875
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 99823700
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449
2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999278
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide (CID 110762427) is 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide is CC(C)Oc1ccc(C(=O)NCc2ccccn2)cc1Cl.
What is the InChIKey of 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is IMMIXDINUCOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(2)21-15-7-6-12(9-14(15)17)16(20)19-10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 110762427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).