2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide

C13H8ClF3N2O — CID 115540640

IUPAC2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H8ClF3N2O/c14-8-3-1-2-7(12(8)18)13(20)19-10-5-6(15)4-9(16)11(10)17/h1-5H,18H2,(H,19,20)
InChIKeyKONAYORQEXZJQN-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.59
Rot. Bonds2

About 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide

2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide (PubChem CID 115540640) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
PubChem CID115540640
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H8ClF3N2O/c14-8-3-1-2-7(12(8)18)13(20)19-10-5-6(15)4-9(16)11(10)17/h1-5H,18H2,(H,19,20)
InChIKeyKONAYORQEXZJQN-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
2-amino-3-chloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 103584339
2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 115540011
2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62813132
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide (CID 115540640) is 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide is Nc1c(Cl)cccc1C(=O)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide?
The InChIKey is KONAYORQEXZJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-8-3-1-2-7(12(8)18)13(20)19-10-5-6(15)4-9(16)11(10)17/h1-5H,18H2,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide?
2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide has a molecular weight of 300.67 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide is sourced from PubChem (CID 115540640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).