4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide

C13H18ClNO3 — CID 103819904

IUPAC4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H18ClNO3/c1-8(2)5-10(16)7-15-13(18)11-4-3-9(14)6-12(11)17/h3-4,6,8,10,16-17H,5,7H2,1-2H3,(H,15,18)
InChIKeyVRTOTSUINQLEBE-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.18
Rot. Bonds5

About 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide

4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide (PubChem CID 103819904) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
PubChem CID103819904
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H18ClNO3/c1-8(2)5-10(16)7-15-13(18)11-4-3-9(14)6-12(11)17/h3-4,6,8,10,16-17H,5,7H2,1-2H3,(H,15,18)
InChIKeyVRTOTSUINQLEBE-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220450
5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 107150578
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide (CID 103819904) is 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide is CC(C)CC(O)CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide?
The InChIKey is VRTOTSUINQLEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(2)5-10(16)7-15-13(18)11-4-3-9(14)6-12(11)17/h3-4,6,8,10,16-17H,5,7H2,1-2H3,(H,15,18).
What are the key properties of 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide?
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide has a molecular weight of 271.74 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103819904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).