4-(dibutylamino)-2-fluorobenzoic acid

C15H22FNO2 — CID 113319789

IUPAC4-(dibutylamino)-2-fluorobenzoic acid
SMILESCCCCN(CCCC)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-3-5-9-17(10-6-4-2)12-7-8-13(15(18)19)14(16)11-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyHHKDNMRCZLNSIJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.93
Rot. Bonds8

About 4-(dibutylamino)-2-fluorobenzoic acid

4-(dibutylamino)-2-fluorobenzoic acid (PubChem CID 113319789) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-(dibutylamino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(dibutylamino)-2-fluorobenzoic acid
PubChem CID113319789
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-(dibutylamino)-2-fluorobenzoic acid
SMILESCCCCN(CCCC)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-3-5-9-17(10-6-4-2)12-7-8-13(15(18)19)14(16)11-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyHHKDNMRCZLNSIJ-UHFFFAOYSA-N
XLogP3.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dibutylamino)-2-fluorobenzoic acid 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

4-(dioctylamino)phthalic acid
CID 20818058
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-fluoro-4-[methyl(pentan-3-yl)amino]benzoic acid
CID 115485310
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
6-(dibutylamino)naphthalene-1-carboxylic acid
CID 69135598
4-[butyl(ethyl)amino]-2-fluorobenzenecarbothioamide
CID 113295780
2-[[4-(dibutylamino)-2-hydroxyphenyl]methyl]benzoic acid
CID 150857297
4-[butyl(ethyl)amino]-2-nitrobenzoic acid
CID 113419608
2-fluoro-4-nonylbenzoic acid
CID 57292315
4-[butyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 107935574
3-(N-butyl-3-chloro-4-fluoroanilino)propanoic acid
CID 82317933
4-[bis(cyclopropylmethyl)amino]-2-fluorobenzoic acid
CID 115485485

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-2-fluorobenzoic acid?
The IUPAC name of 4-(dibutylamino)-2-fluorobenzoic acid (CID 113319789) is 4-(dibutylamino)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(dibutylamino)-2-fluorobenzoic acid?
The canonical SMILES for 4-(dibutylamino)-2-fluorobenzoic acid is CCCCN(CCCC)c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(dibutylamino)-2-fluorobenzoic acid?
The InChIKey is HHKDNMRCZLNSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-5-9-17(10-6-4-2)12-7-8-13(15(18)19)14(16)11-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-(dibutylamino)-2-fluorobenzoic acid?
4-(dibutylamino)-2-fluorobenzoic acid has a molecular weight of 267.34 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-2-fluorobenzoic acid is sourced from PubChem (CID 113319789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).