4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide

C19H22FNO3 — CID 26522911

IUPAC4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)cc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-4-5-10-24-17-9-7-14(12-18(17)23-3)19(22)21-16-8-6-13(2)11-15(16)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyZFVMEMUSTZGMLB-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.57
Rot. Bonds7

About 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide

4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide (PubChem CID 26522911) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
PubChem CID26522911
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)cc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-4-5-10-24-17-9-7-14(12-18(17)23-3)19(22)21-16-8-6-13(2)11-15(16)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyZFVMEMUSTZGMLB-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide 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-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26702654
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide (CID 26522911) is 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc(C)cc2F)cc1OC.
What is the InChIKey of 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide?
The InChIKey is ZFVMEMUSTZGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-4-5-10-24-17-9-7-14(12-18(17)23-3)19(22)21-16-8-6-13(2)11-15(16)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide?
4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide has a molecular weight of 331.39 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 26522911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).