3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide

C13H15Cl2NO2 — CID 134040755

IUPAC3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NC(C)C2CC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-7(8-3-4-8)16-13(17)9-5-10(14)12(18-2)11(15)6-9/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyJTQJSDIPBSLWEJ-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.53
Rot. Bonds4

About 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide

3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide (PubChem CID 134040755) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
PubChem CID134040755
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NC(C)C2CC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-7(8-3-4-8)16-13(17)9-5-10(14)12(18-2)11(15)6-9/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyJTQJSDIPBSLWEJ-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65370368
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79011316
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide (CID 134040755) is 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NC(C)C2CC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide?
The InChIKey is JTQJSDIPBSLWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-7(8-3-4-8)16-13(17)9-5-10(14)12(18-2)11(15)6-9/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide?
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide has a molecular weight of 288.17 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide is sourced from PubChem (CID 134040755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).