2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide

C21H14Cl3FN2O4 — CID 112827442

IUPAC2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
SMILESCOc1ccc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C21H14Cl3FN2O4/c1-31-16-6-5-12(8-15(16)27-20(29)10-3-2-4-11(25)7-10)26-21(30)17-18(24)13(22)9-14(23)19(17)28/h2-9,28H,1H3,(H,26,30)(H,27,29)
InChIKeyWASSHGVDZVPKCC-UHFFFAOYSA-N
MW483.71 g/mol
LogP6.00
Rot. Bonds5

About 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide

2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide (PubChem CID 112827442) has the molecular formula C21H14Cl3FN2O4 and a molecular weight of 483.71 g/mol. Its IUPAC name is 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
PubChem CID112827442
Molecular FormulaC21H14Cl3FN2O4
Molecular Weight483.71 g/mol
Exact Mass482.00
IUPAC Name2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
SMILESCOc1ccc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C21H14Cl3FN2O4/c1-31-16-6-5-12(8-15(16)27-20(29)10-3-2-4-11(25)7-10)26-21(30)17-18(24)13(22)9-14(23)19(17)28/h2-9,28H,1H3,(H,26,30)(H,27,29)
InChIKeyWASSHGVDZVPKCC-UHFFFAOYSA-N
XLogP6.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.71
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide 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

2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide?
The IUPAC name of 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide (CID 112827442) is 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide.
What is the SMILES notation for 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide?
The canonical SMILES for 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide is COc1ccc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide?
The InChIKey is WASSHGVDZVPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3FN2O4/c1-31-16-6-5-12(8-15(16)27-20(29)10-3-2-4-11(25)7-10)26-21(30)17-18(24)13(22)9-14(23)19(17)28/h2-9,28H,1H3,(H,26,30)(H,27,29).
What are the key properties of 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide?
2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide has a molecular weight of 483.71 g/mol, XLogP of 6.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide is sourced from PubChem (CID 112827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).