N,N-dibutyl-2-chloro-5-hydroxybenzamide

C15H22ClNO2 — CID 106501357

IUPACN,N-dibutyl-2-chloro-5-hydroxybenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-3-5-9-17(10-6-4-2)15(19)13-11-12(18)7-8-14(13)16/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyQJJVACXMEHIISB-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.09
Rot. Bonds7

About N,N-dibutyl-2-chloro-5-hydroxybenzamide

N,N-dibutyl-2-chloro-5-hydroxybenzamide (PubChem CID 106501357) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N,N-dibutyl-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN,N-dibutyl-2-chloro-5-hydroxybenzamide
PubChem CID106501357
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN,N-dibutyl-2-chloro-5-hydroxybenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-3-5-9-17(10-6-4-2)15(19)13-11-12(18)7-8-14(13)16/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyQJJVACXMEHIISB-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dibutyl-2-chloro-5-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
CID 106503200
2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
butyl(propyl)carbamic acid;3,4-dichlorophenol;methanol
CID 156723759
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 51166063
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-chloro-5-hydroxybenzamide?
The IUPAC name of N,N-dibutyl-2-chloro-5-hydroxybenzamide (CID 106501357) is N,N-dibutyl-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N,N-dibutyl-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N,N-dibutyl-2-chloro-5-hydroxybenzamide is CCCCN(CCCC)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N,N-dibutyl-2-chloro-5-hydroxybenzamide?
The InChIKey is QJJVACXMEHIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-5-9-17(10-6-4-2)15(19)13-11-12(18)7-8-14(13)16/h7-8,11,18H,3-6,9-10H2,1-2H3.
What are the key properties of N,N-dibutyl-2-chloro-5-hydroxybenzamide?
N,N-dibutyl-2-chloro-5-hydroxybenzamide has a molecular weight of 283.80 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106501357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).