3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide

C15H22ClNO4 — CID 103759053

IUPAC3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CCO)C(C)C)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO4/c1-9(2)12(5-6-18)17-15(19)10-7-11(16)14(21-4)13(8-10)20-3/h7-9,12,18H,5-6H2,1-4H3,(H,17,19)
InChIKeyBVFFOCWKJCQDQR-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.49
Rot. Bonds7

About 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide

3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide (PubChem CID 103759053) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
PubChem CID103759053
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CCO)C(C)C)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO4/c1-9(2)12(5-6-18)17-15(19)10-7-11(16)14(21-4)13(8-10)20-3/h7-9,12,18H,5-6H2,1-4H3,(H,17,19)
InChIKeyBVFFOCWKJCQDQR-UHFFFAOYSA-N
XLogP2.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
(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
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide (CID 103759053) is 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide is COc1cc(C(=O)NC(CCO)C(C)C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide?
The InChIKey is BVFFOCWKJCQDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO4/c1-9(2)12(5-6-18)17-15(19)10-7-11(16)14(21-4)13(8-10)20-3/h7-9,12,18H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide?
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide has a molecular weight of 315.80 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 103759053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).