N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide

C13H18ClNO3 — CID 106157251

IUPACN-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
SMILESCC(CCl)CCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H18ClNO3/c1-9(8-14)4-3-7-15-13(18)12-10(16)5-2-6-11(12)17/h2,5-6,9,16-17H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyDARREEWEONKGJX-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.48
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide

N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide (PubChem CID 106157251) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
PubChem CID106157251
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
SMILESCC(CCl)CCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H18ClNO3/c1-9(8-14)4-3-7-15-13(18)12-10(16)5-2-6-11(12)17/h2,5-6,9,16-17H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyDARREEWEONKGJX-UHFFFAOYSA-N
XLogP2.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
CID 103890654
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 114151356
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
CID 106156758
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide (CID 106157251) is N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide is CC(CCl)CCCNC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide?
The InChIKey is DARREEWEONKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9(8-14)4-3-7-15-13(18)12-10(16)5-2-6-11(12)17/h2,5-6,9,16-17H,3-4,7-8H2,1H3,(H,15,18).
What are the key properties of N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide?
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide has a molecular weight of 271.74 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 106157251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).