3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide

C13H18ClNO3 — CID 62517786

IUPAC3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-3-13(4-2,8-16)15-12(18)9-5-6-11(17)10(14)7-9/h5-7,16-17H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyODUKGEGFBDPFOC-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.33
Rot. Bonds5

About 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide

3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide (PubChem CID 62517786) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
PubChem CID62517786
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-3-13(4-2,8-16)15-12(18)9-5-6-11(17)10(14)7-9/h5-7,16-17H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyODUKGEGFBDPFOC-UHFFFAOYSA-N
XLogP2.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-4-hydroxybenzamide
CID 107867994
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
CID 65037878
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 113470520
3-chloro-4-hydroxybenzohydrazide
CID 10954268
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide
CID 113472136

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide (CID 62517786) is 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide is CCC(CC)(CO)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The InChIKey is ODUKGEGFBDPFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-13(4-2,8-16)15-12(18)9-5-6-11(17)10(14)7-9/h5-7,16-17H,3-4,8H2,1-2H3,(H,15,18).
What are the key properties of 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide has a molecular weight of 271.74 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide is sourced from PubChem (CID 62517786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).