5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide

C13H18ClNO3 — CID 66109284

IUPAC5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)CCO
InChIInChI=1S/C13H18ClNO3/c1-9(5-6-16)8-15-13(17)11-7-10(14)3-4-12(11)18-2/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyRVFBGPUDHCVNLE-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.10
Rot. Bonds6

About 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide

5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide (PubChem CID 66109284) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
PubChem CID66109284
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)CCO
InChIInChI=1S/C13H18ClNO3/c1-9(5-6-16)8-15-13(17)11-7-10(14)3-4-12(11)18-2/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyRVFBGPUDHCVNLE-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide (CID 66109284) is 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC(C)CCO.
What is the InChIKey of 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide?
The InChIKey is RVFBGPUDHCVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9(5-6-16)8-15-13(17)11-7-10(14)3-4-12(11)18-2/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide?
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide has a molecular weight of 271.74 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide is sourced from PubChem (CID 66109284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).