3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide

C14H10ClF3N2O — CID 102664471

IUPAC3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cc(F)c(F)cc2F)c(Cl)c1
InChIInChI=1S/C14H10ClF3N2O/c15-9-3-7(14(19)21)1-2-8(9)6-20-13-5-11(17)10(16)4-12(13)18/h1-5,20H,6H2,(H2,19,21)
InChIKeyLLUQLIJZIDJEOR-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.47
Rot. Bonds4

About 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide

3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide (PubChem CID 102664471) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
PubChem CID102664471
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cc(F)c(F)cc2F)c(Cl)c1
InChIInChI=1S/C14H10ClF3N2O/c15-9-3-7(14(19)21)1-2-8(9)6-20-13-5-11(17)10(16)4-12(13)18/h1-5,20H,6H2,(H2,19,21)
InChIKeyLLUQLIJZIDJEOR-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.47
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

4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
CID 107807922
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
CID 102664463
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
CID 107598781
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43783759

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide (CID 102664471) is 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide is NC(=O)c1ccc(CNc2cc(F)c(F)cc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide?
The InChIKey is LLUQLIJZIDJEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-9-3-7(14(19)21)1-2-8(9)6-20-13-5-11(17)10(16)4-12(13)18/h1-5,20H,6H2,(H2,19,21).
What are the key properties of 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide?
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide has a molecular weight of 314.69 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide is sourced from PubChem (CID 102664471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).