3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide

C13H18ClNO4 — CID 93041589

IUPAC3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
SMILESCC[C@H](CO)NC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H18ClNO4/c1-4-9(7-16)15-13(17)8-5-10(14)12(19-3)11(6-8)18-2/h5-6,9,16H,4,7H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyGTMOIOLSOZBIRN-SECBINFHSA-N
MW287.74 g/mol
LogP1.86
Rot. Bonds6

About 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide

3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide (PubChem CID 93041589) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
PubChem CID93041589
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
SMILESCC[C@H](CO)NC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H18ClNO4/c1-4-9(7-16)15-13(17)8-5-10(14)12(19-3)11(6-8)18-2/h5-6,9,16H,4,7H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyGTMOIOLSOZBIRN-SECBINFHSA-N
XLogP1.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
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
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
CID 103759053
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide (CID 93041589) is 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide is CC[C@H](CO)NC(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide?
The InChIKey is GTMOIOLSOZBIRN-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-4-9(7-16)15-13(17)8-5-10(14)12(19-3)11(6-8)18-2/h5-6,9,16H,4,7H2,1-3H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide?
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide has a molecular weight of 287.74 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 93041589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).