N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide

C14H20ClNO2 — CID 114168739

IUPACN-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C14H20ClNO2/c1-3-10(4-2)13(15)9-16-14(18)11-6-5-7-12(17)8-11/h5-8,10,13,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyBUDWDKUEAHTAOL-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.17
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide

N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide (PubChem CID 114168739) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
PubChem CID114168739
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C14H20ClNO2/c1-3-10(4-2)13(15)9-16-14(18)11-6-5-7-12(17)8-11/h5-8,10,13,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyBUDWDKUEAHTAOL-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.17
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

3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730
N-ethyl-3-hydroxybenzamide
CID 13175248
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
CID 106287256
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
CID 106287250
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254
N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
CID 106287191
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
3-hydroxy-N-octylbenzamide
CID 115568584
3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110465856

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide (CID 114168739) is N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide is CCC(CC)C(Cl)CNC(=O)c1cccc(O)c1.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide?
The InChIKey is BUDWDKUEAHTAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-10(4-2)13(15)9-16-14(18)11-6-5-7-12(17)8-11/h5-8,10,13,17H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide?
N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide is sourced from PubChem (CID 114168739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).