3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide

C13H10Cl2N2O2 — CID 3237952

IUPAC3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-12-5-3-9(14)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyBEGKFDPUBVELIU-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide

3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide (PubChem CID 3237952) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide
PubChem CID3237952
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-12-5-3-9(14)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyBEGKFDPUBVELIU-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea
CID 475283
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
4-methoxy-N-[(4-methylpyridin-2-yl)carbamoyl]benzamide
CID 1540545
N-{4-[(2-Chlorophenyl)(Pyrimidin-4-Yl)carbamoyl]phenyl}-4-Methoxybenzamide
CID 105539834
3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 802066
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
N-{2-[4-(5-Chloro-pyridin-2-yl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 44369020
Benzamide,n-(3-chloro-2-pyridinyl)-3-(cyclopentyloxy)-4-methoxy-
CID 10089015
3-chloro-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide
CID 58349181
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide
CID 59618008

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide (CID 3237952) is 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide?
The InChIKey is BEGKFDPUBVELIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-12-5-3-9(14)7-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide?
3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide has a molecular weight of 297.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 3237952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).