sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride

C11H15ClNNaO2 — CID 174574548

IUPACsodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
SMILESCCCCNC(=O)c1ccc(Cl)cc1O.[H-].[Na+]
InChIInChI=1S/C11H14ClNO2.Na.H/c1-2-3-6-13-11(15)9-5-4-8(12)7-10(9)14;;/h4-5,7,14H,2-3,6H2,1H3,(H,13,15);;/q;+1;-1
InChIKeyIKPOQUDBPBRSPL-UHFFFAOYSA-N
MW251.69 g/mol
LogP-0.31
Rot. Bonds4

About sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride

sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride (PubChem CID 174574548) has the molecular formula C11H15ClNNaO2 and a molecular weight of 251.69 g/mol. Its IUPAC name is sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride.

Molecular Properties

Compound Namesodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
PubChem CID174574548
Molecular FormulaC11H15ClNNaO2
Molecular Weight251.69 g/mol
Exact Mass251.07
IUPAC Namesodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
SMILESCCCCNC(=O)c1ccc(Cl)cc1O.[H-].[Na+]
InChIInChI=1S/C11H14ClNO2.Na.H/c1-2-3-6-13-11(15)9-5-4-8(12)7-10(9)14;;/h4-5,7,14H,2-3,6H2,1H3,(H,13,15);;/q;+1;-1
InChIKeyIKPOQUDBPBRSPL-UHFFFAOYSA-N
XLogP-0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
CID 107322316
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
2,4-dichloro-N-nonylbenzamide
CID 3596264
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634790
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404

Frequently Asked Questions

What is the IUPAC name of sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride?
The IUPAC name of sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride (CID 174574548) is sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride.
What is the SMILES notation for sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride?
The canonical SMILES for sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride is CCCCNC(=O)c1ccc(Cl)cc1O.[H-].[Na+].
What is the InChIKey of sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride?
The InChIKey is IKPOQUDBPBRSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.Na.H/c1-2-3-6-13-11(15)9-5-4-8(12)7-10(9)14;;/h4-5,7,14H,2-3,6H2,1H3,(H,13,15);;/q;+1;-1.
What are the key properties of sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride?
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride has a molecular weight of 251.69 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride is sourced from PubChem (CID 174574548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).