3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide

C20H17ClN2O2 — CID 84558608

IUPAC3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c1-14-6-2-3-7-16(14)13-25-18-10-5-11-22-19(18)23-20(24)15-8-4-9-17(21)12-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyYEKNEUVCAFYSMY-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.87
Rot. Bonds5

About 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide

3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide (PubChem CID 84558608) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
PubChem CID84558608
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c1-14-6-2-3-7-16(14)13-25-18-10-5-11-22-19(18)23-20(24)15-8-4-9-17(21)12-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyYEKNEUVCAFYSMY-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84559706
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
CID 84559658
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
CID 84562015
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 84559480
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850
3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 30161822
3-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]propanamide
CID 84559542

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide (CID 84558608) is 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide is Cc1ccccc1COc1cccnc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
The InChIKey is YEKNEUVCAFYSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-14-6-2-3-7-16(14)13-25-18-10-5-11-22-19(18)23-20(24)15-8-4-9-17(21)12-15/h2-12H,13H2,1H3,(H,22,23,24).
What are the key properties of 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide has a molecular weight of 352.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 84558608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).