2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide

C13H8ClF3N2O — CID 63660530

IUPAC2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8ClF3N2O/c14-6-2-1-3-8(18)10(6)13(20)19-9-5-4-7(15)11(16)12(9)17/h1-5H,18H2,(H,19,20)
InChIKeyGAZUKENAAPSUHJ-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.59
Rot. Bonds2

About 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide

2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 63660530) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID63660530
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8ClF3N2O/c14-6-2-1-3-8(18)10(6)13(20)19-9-5-4-7(15)11(16)12(9)17/h1-5H,18H2,(H,19,20)
InChIKeyGAZUKENAAPSUHJ-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_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
CID 63660522
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide
CID 79773214
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
CID 62649534
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237786
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide (CID 63660530) is 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide is Nc1cccc(Cl)c1C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is GAZUKENAAPSUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-6-2-1-3-8(18)10(6)13(20)19-9-5-4-7(15)11(16)12(9)17/h1-5H,18H2,(H,19,20).
What are the key properties of 2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide?
2-amino-6-chloro-N-(2,3,4-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-6-chloro-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 63660530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).