3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide

C13H7Cl2F3N2O — CID 62815869

IUPAC3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc(F)c(F)cc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-6-1-5(2-10(19)12(6)15)13(21)20-11-4-8(17)7(16)3-9(11)18/h1-4H,19H2,(H,20,21)
InChIKeyLDQFEBKDRVYGMU-UHFFFAOYSA-N
MW335.11 g/mol
LogP4.25
Rot. Bonds2

About 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide

3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 62815869) has the molecular formula C13H7Cl2F3N2O and a molecular weight of 335.11 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID62815869
Molecular FormulaC13H7Cl2F3N2O
Molecular Weight335.11 g/mol
Exact Mass333.99
IUPAC Name3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc(F)c(F)cc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-6-1-5(2-10(19)12(6)15)13(21)20-11-4-8(17)7(16)3-9(11)18/h1-4H,19H2,(H,20,21)
InChIKeyLDQFEBKDRVYGMU-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_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
CID 63326386
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
CID 81289576

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide (CID 62815869) is 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide is Nc1cc(C(=O)Nc2cc(F)c(F)cc2F)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is LDQFEBKDRVYGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O/c14-6-1-5(2-10(19)12(6)15)13(21)20-11-4-8(17)7(16)3-9(11)18/h1-4H,19H2,(H,20,21).
What are the key properties of 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide?
3-amino-4,5-dichloro-N-(2,4,5-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 3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62815869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).