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

C18H19FN2O3 — CID 172816845

IUPAC2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCOc1ccc(-c2c(C(N)=O)cccc2C(N)=O)c(F)c1
InChIInChI=1S/C18H19FN2O3/c1-2-3-9-24-11-7-8-12(15(19)10-11)16-13(17(20)22)5-4-6-14(16)18(21)23/h4-8,10H,2-3,9H2,1H3,(H2,20,22)(H2,21,23)
InChIKeySXOKWCPHSWSWCT-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.87
Rot. Bonds7

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

2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 172816845) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID172816845
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCOc1ccc(-c2c(C(N)=O)cccc2C(N)=O)c(F)c1
InChIInChI=1S/C18H19FN2O3/c1-2-3-9-24-11-7-8-12(15(19)10-11)16-13(17(20)22)5-4-6-14(16)18(21)23/h4-8,10H,2-3,9H2,1H3,(H2,20,22)(H2,21,23)
InChIKeySXOKWCPHSWSWCT-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-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 150291896
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
4-butoxy-2-fluorobenzoate
CID 7015592
3-(2-fluoro-4-nonoxyphenyl)-3-oxopropanoic acid
CID 170887023
2-(2-butoxyphenyl)benzamide
CID 174985404
2-(3,6-dihexoxy-9H-xanthen-9-yl)benzamide
CID 56973697
methyl 2-fluoro-4-octoxybenzoate
CID 59683755
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
2-amino-5-(2-butoxyethoxy)benzamide
CID 61307409
5-butoxy-2-nitrobenzamide
CID 70418423
3-(5-butoxypentoxy)benzamide
CID 71713772
2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone
CID 170896252

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide (CID 172816845) is 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide is CCCCOc1ccc(-c2c(C(N)=O)cccc2C(N)=O)c(F)c1.
What is the InChIKey of 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is SXOKWCPHSWSWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-3-9-24-11-7-8-12(15(19)10-11)16-13(17(20)22)5-4-6-14(16)18(21)23/h4-8,10H,2-3,9H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 2-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide?
2-(4-butoxy-2-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-(4-butoxy-2-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 172816845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).