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

C19H22FNO3 — CID 9216174

IUPAC4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C19H22FNO3/c1-4-5-10-24-17-9-7-14(11-18(17)23-3)19(22)21-15-8-6-13(2)16(20)12-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyGVUUCKGMGPYQGN-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.57
Rot. Bonds7

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

4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide (PubChem CID 9216174) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
PubChem CID9216174
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C19H22FNO3/c1-4-5-10-24-17-9-7-14(11-18(17)23-3)19(22)21-15-8-6-13(2)16(20)12-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyGVUUCKGMGPYQGN-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'}

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Related Compounds

4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 26522911
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide (CID 9216174) is 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide?
The InChIKey is GVUUCKGMGPYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-4-5-10-24-17-9-7-14(11-18(17)23-3)19(22)21-15-8-6-13(2)16(20)12-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of 4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide?
4-butoxy-N-(3-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-(3-fluoro-4-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 9216174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).