4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide

C14H10Cl3FN2O — CID 43783759

IUPAC4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(F)c(NCc2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl3FN2O/c15-9-2-3-10(16)13(17)8(9)6-20-12-5-7(14(19)21)1-4-11(12)18/h1-5,20H,6H2,(H2,19,21)
InChIKeySMAWJATUGSVHTF-UHFFFAOYSA-N
MW347.60 g/mol
LogP4.50
Rot. Bonds4

About 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide

4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide (PubChem CID 43783759) has the molecular formula C14H10Cl3FN2O and a molecular weight of 347.60 g/mol. Its IUPAC name is 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
PubChem CID43783759
Molecular FormulaC14H10Cl3FN2O
Molecular Weight347.60 g/mol
Exact Mass345.98
IUPAC Name4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(F)c(NCc2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl3FN2O/c15-9-2-3-10(16)13(17)8(9)6-20-12-5-7(14(19)21)1-4-11(12)18/h1-5,20H,6H2,(H2,19,21)
InChIKeySMAWJATUGSVHTF-UHFFFAOYSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43767611
3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
CID 114452430
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
2-fluoro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43763353
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide?
The IUPAC name of 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide (CID 43783759) is 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide is NC(=O)c1ccc(F)c(NCc2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide?
The InChIKey is SMAWJATUGSVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FN2O/c15-9-2-3-10(16)13(17)8(9)6-20-12-5-7(14(19)21)1-4-11(12)18/h1-5,20H,6H2,(H2,19,21).
What are the key properties of 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide?
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide has a molecular weight of 347.60 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide is sourced from PubChem (CID 43783759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).