3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide

C12H16ClNO4 — CID 43419055

IUPAC3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)CO)cc(Cl)c1OC
InChIInChI=1S/C12H16ClNO4/c1-7(6-15)14-12(16)8-4-9(13)11(18-3)10(5-8)17-2/h4-5,7,15H,6H2,1-3H3,(H,14,16)
InChIKeyZGYSLPMACQMSIQ-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.47
Rot. Bonds5

About 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide

3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide (PubChem CID 43419055) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
PubChem CID43419055
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)CO)cc(Cl)c1OC
InChIInChI=1S/C12H16ClNO4/c1-7(6-15)14-12(16)8-4-9(13)11(18-3)10(5-8)17-2/h4-5,7,15H,6H2,1-3H3,(H,14,16)
InChIKeyZGYSLPMACQMSIQ-UHFFFAOYSA-N
XLogP1.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
CID 103759053
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
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-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide (CID 43419055) is 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide is COc1cc(C(=O)NC(C)CO)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide?
The InChIKey is ZGYSLPMACQMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-7(6-15)14-12(16)8-4-9(13)11(18-3)10(5-8)17-2/h4-5,7,15H,6H2,1-3H3,(H,14,16).
What are the key properties of 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide?
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide has a molecular weight of 273.72 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 43419055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).