4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid

C16H13F2NO3 — CID 71894222

IUPAC4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H13F2NO3/c17-12-5-6-14(18)13(9-12)15(20)19-8-7-10-1-3-11(4-2-10)16(21)22/h1-6,9H,7-8H2,(H,19,20)(H,21,22)
InChIKeyYRTSTBQHZIMFBW-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.64
Rot. Bonds5

About 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid

4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid (PubChem CID 71894222) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid
PubChem CID71894222
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC Name4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H13F2NO3/c17-12-5-6-14(18)13(9-12)15(20)19-8-7-10-1-3-11(4-2-10)16(21)22/h1-6,9H,7-8H2,(H,19,20)(H,21,22)
InChIKeyYRTSTBQHZIMFBW-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic 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

5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide;4-(1,1,2,2,2-pentafluoroethyl)benzoic acid
CID 161150269
4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
CID 70534274
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
CID 10569641
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid (CID 71894222) is 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid?
The InChIKey is YRTSTBQHZIMFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c17-12-5-6-14(18)13(9-12)15(20)19-8-7-10-1-3-11(4-2-10)16(21)22/h1-6,9H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid?
4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid has a molecular weight of 305.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 71894222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).