N-(1-chlorobutan-2-yl)-2-hydroxybenzamide

C11H14ClNO2 — CID 114294495

IUPACN-(1-chlorobutan-2-yl)-2-hydroxybenzamide
SMILESCCC(CCl)NC(=O)c1ccccc1O
InChIInChI=1S/C11H14ClNO2/c1-2-8(7-12)13-11(15)9-5-3-4-6-10(9)14/h3-6,8,14H,2,7H2,1H3,(H,13,15)
InChIKeyPLGQJUPQWINEDF-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.14
Rot. Bonds4

About N-(1-chlorobutan-2-yl)-2-hydroxybenzamide

N-(1-chlorobutan-2-yl)-2-hydroxybenzamide (PubChem CID 114294495) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-2-hydroxybenzamide
PubChem CID114294495
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(1-chlorobutan-2-yl)-2-hydroxybenzamide
SMILESCCC(CCl)NC(=O)c1ccccc1O
InChIInChI=1S/C11H14ClNO2/c1-2-8(7-12)13-11(15)9-5-3-4-6-10(9)14/h3-6,8,14H,2,7H2,1H3,(H,13,15)
InChIKeyPLGQJUPQWINEDF-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187
N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294621
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
2-hydroxy-N-(2-methylpentan-3-yl)benzamide
CID 61465472
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-2-hydroxybenzamide (CID 114294495) is N-(1-chlorobutan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-2-hydroxybenzamide is CCC(CCl)NC(=O)c1ccccc1O.
What is the InChIKey of N-(1-chlorobutan-2-yl)-2-hydroxybenzamide?
The InChIKey is PLGQJUPQWINEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-8(7-12)13-11(15)9-5-3-4-6-10(9)14/h3-6,8,14H,2,7H2,1H3,(H,13,15).
What are the key properties of N-(1-chlorobutan-2-yl)-2-hydroxybenzamide?
N-(1-chlorobutan-2-yl)-2-hydroxybenzamide has a molecular weight of 227.69 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 114294495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).