2,5-dichloro-N-(2-methoxypropyl)benzamide

C11H13Cl2NO2 — CID 101005301

IUPAC2,5-dichloro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(16-2)6-14-11(15)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyIYAAQECZMVVDNU-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.76
Rot. Bonds4

About 2,5-dichloro-N-(2-methoxypropyl)benzamide

2,5-dichloro-N-(2-methoxypropyl)benzamide (PubChem CID 101005301) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxypropyl)benzamide
PubChem CID101005301
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2,5-dichloro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(16-2)6-14-11(15)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyIYAAQECZMVVDNU-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide
CID 99790077
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
CID 113478170

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxypropyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-methoxypropyl)benzamide (CID 101005301) is 2,5-dichloro-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-methoxypropyl)benzamide is COC(C)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxypropyl)benzamide?
The InChIKey is IYAAQECZMVVDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(16-2)6-14-11(15)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-(2-methoxypropyl)benzamide?
2,5-dichloro-N-(2-methoxypropyl)benzamide has a molecular weight of 262.14 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methoxypropyl)benzamide is sourced from PubChem (CID 101005301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).