3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide

C18H18ClNO3 — CID 167942023

IUPAC3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide
SMILESO=C(NOCC1CCC1)c1cc(-c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C18H18ClNO3/c19-16-10-14(13-7-2-1-3-8-13)9-15(17(16)21)18(22)20-23-11-12-5-4-6-12/h1-3,7-10,12,21H,4-6,11H2,(H,20,22)
InChIKeyPYAUPKUMMBCWES-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.17
Rot. Bonds5

About 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide

3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide (PubChem CID 167942023) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide
PubChem CID167942023
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide
SMILESO=C(NOCC1CCC1)c1cc(-c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C18H18ClNO3/c19-16-10-14(13-7-2-1-3-8-13)9-15(17(16)21)18(22)20-23-11-12-5-4-6-12/h1-3,7-10,12,21H,4-6,11H2,(H,20,22)
InChIKeyPYAUPKUMMBCWES-UHFFFAOYSA-N
XLogP4.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide 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

3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
CID 167770120
1-(3-chloro-2-hydroxy-5-phenylphenyl)-3-methylbutan-1-one
CID 63489906
N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide
CID 11438981
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
CID 7854658
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
N-(cyclopentylmethoxy)-2-[[2-[methylcarbamoyl(sulfanyl)amino]-4-pyridinyl]methylamino]benzamide
CID 87281685
2-[(6-amino-3-pyridinyl)methylamino]-N-(cyclopentylmethoxy)benzamide
CID 87282068
methyl 5-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-fluorobenzoate
CID 58989927
cyclobutylmethyl phenyl carbonate
CID 67717411
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide?
The IUPAC name of 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide (CID 167942023) is 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide.
What is the SMILES notation for 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide?
The canonical SMILES for 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide is O=C(NOCC1CCC1)c1cc(-c2ccccc2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide?
The InChIKey is PYAUPKUMMBCWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-16-10-14(13-7-2-1-3-8-13)9-15(17(16)21)18(22)20-23-11-12-5-4-6-12/h1-3,7-10,12,21H,4-6,11H2,(H,20,22).
What are the key properties of 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide?
3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide has a molecular weight of 331.80 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclobutylmethoxy)-2-hydroxy-5-phenylbenzamide is sourced from PubChem (CID 167942023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).