N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide

C11H14ClNO3 — CID 107706110

IUPACN-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
SMILESCC(CCCl)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H14ClNO3/c1-7(2-3-12)13-11(16)8-4-9(14)6-10(15)5-8/h4-7,14-15H,2-3H2,1H3,(H,13,16)
InChIKeyRCQNOPHIBNUDLB-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.85
Rot. Bonds4

About N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide

N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide (PubChem CID 107706110) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
PubChem CID107706110
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC NameN-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
SMILESCC(CCCl)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H14ClNO3/c1-7(2-3-12)13-11(16)8-4-9(14)6-10(15)5-8/h4-7,14-15H,2-3H2,1H3,(H,13,16)
InChIKeyRCQNOPHIBNUDLB-UHFFFAOYSA-N
XLogP1.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide 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

N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104939035
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
CID 103891766
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
CID 107706016
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide (CID 107706110) is N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide is CC(CCCl)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide?
The InChIKey is RCQNOPHIBNUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(2-3-12)13-11(16)8-4-9(14)6-10(15)5-8/h4-7,14-15H,2-3H2,1H3,(H,13,16).
What are the key properties of N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide?
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide has a molecular weight of 243.69 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107706110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).