3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide

C13H15Cl2NO3 — CID 63294592

IUPAC3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC(O)C2CC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-19-12-9(14)4-8(5-10(12)15)13(18)16-6-11(17)7-2-3-7/h4-5,7,11,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyGXHVTUJCEJCXRQ-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.50
Rot. Bonds5

About 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide

3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide (PubChem CID 63294592) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
PubChem CID63294592
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC(O)C2CC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-19-12-9(14)4-8(5-10(12)15)13(18)16-6-11(17)7-2-3-7/h4-5,7,11,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyGXHVTUJCEJCXRQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide (CID 63294592) is 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCC(O)C2CC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide?
The InChIKey is GXHVTUJCEJCXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-19-12-9(14)4-8(5-10(12)15)13(18)16-6-11(17)7-2-3-7/h4-5,7,11,17H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide?
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide has a molecular weight of 304.17 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide is sourced from PubChem (CID 63294592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).