N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide

C16H15FN2O5 — CID 108540166

IUPACN-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
SMILESO=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O5/c17-11-3-1-2-9(6-11)15(23)18-4-5-19-16(24)10-7-12(20)14(22)13(21)8-10/h1-3,6-8,20-22H,4-5H2,(H,18,23)(H,19,24)
InChIKeyJKWYIMGHDNIDED-UHFFFAOYSA-N
MW334.30 g/mol
LogP1.10
Rot. Bonds5

About N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide

N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide (PubChem CID 108540166) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
PubChem CID108540166
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
SMILESO=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O5/c17-11-3-1-2-9(6-11)15(23)18-4-5-19-16(24)10-7-12(20)14(22)13(21)8-10/h1-3,6-8,20-22H,4-5H2,(H,18,23)(H,19,24)
InChIKeyJKWYIMGHDNIDED-UHFFFAOYSA-N
XLogP1.10
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 51.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide 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

N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
N-[2-[(2-benzamidoacetyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108539253
3,4,5-trihydroxy-N-[2-[(2-sulfanylbenzoyl)amino]ethyl]benzamide
CID 108540134
3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide?
The IUPAC name of N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide (CID 108540166) is N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide.
What is the SMILES notation for N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide?
The canonical SMILES for N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide is O=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide?
The InChIKey is JKWYIMGHDNIDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c17-11-3-1-2-9(6-11)15(23)18-4-5-19-16(24)10-7-12(20)14(22)13(21)8-10/h1-3,6-8,20-22H,4-5H2,(H,18,23)(H,19,24).
What are the key properties of N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide?
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide has a molecular weight of 334.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 108540166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).