N-butyl-2-hydroxy-3-phenylbenzamide

C17H19NO2 — CID 8579

IUPACN-butyl-2-hydroxy-3-phenylbenzamide
SMILESCCCCNC(=O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C17H19NO2/c1-2-3-12-18-17(20)15-11-7-10-14(16(15)19)13-8-5-4-6-9-13/h4-11,19H,2-3,12H2,1H3,(H,18,20)
InChIKeyMNUMSBAWEGBPMH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.59
Rot. Bonds5

About N-butyl-2-hydroxy-3-phenylbenzamide

N-butyl-2-hydroxy-3-phenylbenzamide (PubChem CID 8579) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-butyl-2-hydroxy-3-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-3-phenylbenzamide
PubChem CID8579
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-butyl-2-hydroxy-3-phenylbenzamide
SMILESCCCCNC(=O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C17H19NO2/c1-2-3-12-18-17(20)15-11-7-10-14(16(15)19)13-8-5-4-6-9-13/h4-11,19H,2-3,12H2,1H3,(H,18,20)
InChIKeyMNUMSBAWEGBPMH-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.59
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

N-butyl-2-phenylbenzamide
CID 21064565
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-butyl-4-phenylbenzamide
CID 3637649
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
N-ethyl-2-fluoro-3-phenylbenzamide
CID 67472653
2-(pentylcarbamoyl)benzoate
CID 7429981
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(butylamino)-3-phenylbenzamide
CID 69189466
N-butyl-2-methylsulfanylbenzamide
CID 59510338
2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
CID 70943726

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxy-3-phenylbenzamide?
The IUPAC name of N-butyl-2-hydroxy-3-phenylbenzamide (CID 8579) is N-butyl-2-hydroxy-3-phenylbenzamide.
What is the SMILES notation for N-butyl-2-hydroxy-3-phenylbenzamide?
The canonical SMILES for N-butyl-2-hydroxy-3-phenylbenzamide is CCCCNC(=O)c1cccc(-c2ccccc2)c1O.
What is the InChIKey of N-butyl-2-hydroxy-3-phenylbenzamide?
The InChIKey is MNUMSBAWEGBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-12-18-17(20)15-11-7-10-14(16(15)19)13-8-5-4-6-9-13/h4-11,19H,2-3,12H2,1H3,(H,18,20).
What are the key properties of N-butyl-2-hydroxy-3-phenylbenzamide?
N-butyl-2-hydroxy-3-phenylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-3-phenylbenzamide is sourced from PubChem (CID 8579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).