2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid

C14H16F2N2O3 — CID 62675414

IUPAC2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCNC1)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C14H16F2N2O3/c15-10-6-11(16)12(5-9(10)14(20)21)18-13(19)4-8-2-1-3-17-7-8/h5-6,8,17H,1-4,7H2,(H,18,19)(H,20,21)
InChIKeyCZXBJLRJGUBSOA-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.99
Rot. Bonds4

About 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid

2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid (PubChem CID 62675414) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid
PubChem CID62675414
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCNC1)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C14H16F2N2O3/c15-10-6-11(16)12(5-9(10)14(20)21)18-13(19)4-8-2-1-3-17-7-8/h5-6,8,17H,1-4,7H2,(H,18,19)(H,20,21)
InChIKeyCZXBJLRJGUBSOA-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675630
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 107795108
5-(cyclobutylmethylcarbamoylamino)-2,4-difluorobenzoic acid
CID 61197047
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
5-[(2-bromoacetyl)amino]-2,4-difluorobenzoic acid
CID 63679678
2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641614
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
5-iodo-2-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 63111622

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid (CID 62675414) is 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid is O=C(CC1CCCNC1)Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
The InChIKey is CZXBJLRJGUBSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-10-6-11(16)12(5-9(10)14(20)21)18-13(19)4-8-2-1-3-17-7-8/h5-6,8,17H,1-4,7H2,(H,18,19)(H,20,21).
What are the key properties of 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid has a molecular weight of 298.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 62675414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).