2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide

C18H19FN2O3 — CID 150291896

IUPAC2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCOc1cc(-c2c(C(N)=O)cccc2C(N)=O)ccc1F
InChIInChI=1S/C18H19FN2O3/c1-2-3-9-24-15-10-11(7-8-14(15)19)16-12(17(20)22)5-4-6-13(16)18(21)23/h4-8,10H,2-3,9H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyGHTOICFJFJNGMN-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.87
Rot. Bonds7

About 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide

2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 150291896) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID150291896
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCOc1cc(-c2c(C(N)=O)cccc2C(N)=O)ccc1F
InChIInChI=1S/C18H19FN2O3/c1-2-3-9-24-15-10-11(7-8-14(15)19)16-12(17(20)22)5-4-6-13(16)18(21)23/h4-8,10H,2-3,9H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyGHTOICFJFJNGMN-UHFFFAOYSA-N
XLogP2.87
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172816845
2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464
2-(2-butoxyphenyl)benzamide
CID 174985404
3-butoxy-4-fluorophenol
CID 174949463
2-amino-4-(4-fluoro-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405481
2-ethyl-3-pentoxybenzamide
CID 67228177
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
5-amino-2-butoxybenzamide
CID 61305277
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
5-(4-butoxy-3-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402524
3-amino-2-nonoxybenzamide
CID 107873437
2-amino-3-butoxybenzoic acid
CID 61039870

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide (CID 150291896) is 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide is CCCCOc1cc(-c2c(C(N)=O)cccc2C(N)=O)ccc1F.
What is the InChIKey of 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is GHTOICFJFJNGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-3-9-24-15-10-11(7-8-14(15)19)16-12(17(20)22)5-4-6-13(16)18(21)23/h4-8,10H,2-3,9H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide?
2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 150291896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).