2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride

C13H11Cl3N2O — CID 20787064

IUPAC2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
SMILESO=C(NCc1ccc[nH+]c1)c1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C13H10Cl2N2O.ClH/c14-10-4-1-5-11(15)12(10)13(18)17-8-9-3-2-6-16-7-9;/h1-7H,8H2,(H,17,18);1H
InChIKeyHVYBVZCQDORDEE-UHFFFAOYSA-N
MW317.60 g/mol
LogP-0.26
Rot. Bonds3

About 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride

2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride (PubChem CID 20787064) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride.

Molecular Properties

Compound Name2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
PubChem CID20787064
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
SMILESO=C(NCc1ccc[nH+]c1)c1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C13H10Cl2N2O.ClH/c14-10-4-1-5-11(15)12(10)13(18)17-8-9-3-2-6-16-7-9;/h1-7H,8H2,(H,17,18);1H
InChIKeyHVYBVZCQDORDEE-UHFFFAOYSA-N
XLogP-0.26
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 3658873
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
1-N-(pyridin-1-ium-3-ylmethyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 3619062
N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
CID 20787052
3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4196663
3-chloro-6-methyl-N-(pyridin-1-ium-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 4278880
2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4739481
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride?
The IUPAC name of 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride (CID 20787064) is 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride.
What is the SMILES notation for 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride?
The canonical SMILES for 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride is O=C(NCc1ccc[nH+]c1)c1c(Cl)cccc1Cl.[Cl-].
What is the InChIKey of 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride?
The InChIKey is HVYBVZCQDORDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O.ClH/c14-10-4-1-5-11(15)12(10)13(18)17-8-9-3-2-6-16-7-9;/h1-7H,8H2,(H,17,18);1H.
What are the key properties of 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride?
2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride has a molecular weight of 317.60 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride is sourced from PubChem (CID 20787064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).