N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide

C12H16ClNO3 — CID 107725987

IUPACN-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H16ClNO3/c1-8(4-5-13)7-14-12(17)10-6-9(15)2-3-11(10)16/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyQFULDBUIYRRSNM-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.09
Rot. Bonds5

About N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide

N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide (PubChem CID 107725987) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
PubChem CID107725987
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H16ClNO3/c1-8(4-5-13)7-14-12(17)10-6-9(15)2-3-11(10)16/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyQFULDBUIYRRSNM-UHFFFAOYSA-N
XLogP2.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide (CID 107725987) is N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide is CC(CCCl)CNC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide?
The InChIKey is QFULDBUIYRRSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(4-5-13)7-14-12(17)10-6-9(15)2-3-11(10)16/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide?
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide has a molecular weight of 257.72 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).