4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide

C13H7Cl2F3N2O — CID 82811248

IUPAC4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-7-1-5(2-8(15)12(7)19)13(21)20-6-3-9(16)11(18)10(17)4-6/h1-4H,19H2,(H,20,21)
InChIKeyCYIZZGISRGBDQI-UHFFFAOYSA-N
MW335.11 g/mol
LogP4.25
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide

4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 82811248) has the molecular formula C13H7Cl2F3N2O and a molecular weight of 335.11 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID82811248
Molecular FormulaC13H7Cl2F3N2O
Molecular Weight335.11 g/mol
Exact Mass333.99
IUPAC Name4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-7-1-5(2-8(15)12(7)19)13(21)20-6-3-9(16)11(18)10(17)4-6/h1-4H,19H2,(H,20,21)
InChIKeyCYIZZGISRGBDQI-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 54.25
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

4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
CID 82881371
4-amino-3,5-dichloro-N-(4-hydroxyphenyl)benzamide
CID 82832564
4-amino-3,5-dichloro-N-(4-iodophenyl)benzamide
CID 82833125
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
CID 60572464

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide (CID 82811248) is 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide is Nc1c(Cl)cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is CYIZZGISRGBDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O/c14-7-1-5(2-8(15)12(7)19)13(21)20-6-3-9(16)11(18)10(17)4-6/h1-4H,19H2,(H,20,21).
What are the key properties of 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide?
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 335.11 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 82811248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).