3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide

C11H13Cl2NO4 — CID 65315023

IUPAC3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NC(CO)CO)cc1Cl
InChIInChI=1S/C11H13Cl2NO4/c1-18-10-8(12)2-6(3-9(10)13)11(17)14-7(4-15)5-16/h2-3,7,15-16H,4-5H2,1H3,(H,14,17)
InChIKeyXAXFATARLQQORZ-UHFFFAOYSA-N
MW294.13 g/mol
LogP1.09
Rot. Bonds5

About 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide

3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide (PubChem CID 65315023) has the molecular formula C11H13Cl2NO4 and a molecular weight of 294.13 g/mol. Its IUPAC name is 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
PubChem CID65315023
Molecular FormulaC11H13Cl2NO4
Molecular Weight294.13 g/mol
Exact Mass293.02
IUPAC Name3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NC(CO)CO)cc1Cl
InChIInChI=1S/C11H13Cl2NO4/c1-18-10-8(12)2-6(3-9(10)13)11(17)14-7(4-15)5-16/h2-3,7,15-16H,4-5H2,1H3,(H,14,17)
InChIKeyXAXFATARLQQORZ-UHFFFAOYSA-N
XLogP1.09
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225
(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79011316
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821455
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide (CID 65315023) is 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NC(CO)CO)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide?
The InChIKey is XAXFATARLQQORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4/c1-18-10-8(12)2-6(3-9(10)13)11(17)14-7(4-15)5-16/h2-3,7,15-16H,4-5H2,1H3,(H,14,17).
What are the key properties of 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide?
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide has a molecular weight of 294.13 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 65315023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).