3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide

C13H8BrClF2N2O — CID 102852308

IUPAC3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide
SMILESNc1cc(Cl)cc(C(=O)Nc2cc(Br)c(F)cc2F)c1
InChIInChI=1S/C13H8BrClF2N2O/c14-9-4-12(11(17)5-10(9)16)19-13(20)6-1-7(15)3-8(18)2-6/h1-5H,18H2,(H,19,20)
InChIKeyZOZOUUDDWIDHMM-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

About 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide

3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide (PubChem CID 102852308) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide
PubChem CID102852308
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide
SMILESNc1cc(Cl)cc(C(=O)Nc2cc(Br)c(F)cc2F)c1
InChIInChI=1S/C13H8BrClF2N2O/c14-9-4-12(11(17)5-10(9)16)19-13(20)6-1-7(15)3-8(18)2-6/h1-5H,18H2,(H,19,20)
InChIKeyZOZOUUDDWIDHMM-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.22
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-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 107616840
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
3-amino-N-(5-chloro-2-fluorophenyl)-5-methoxybenzamide
CID 78985100
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide?
The IUPAC name of 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide (CID 102852308) is 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide?
The canonical SMILES for 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide is Nc1cc(Cl)cc(C(=O)Nc2cc(Br)c(F)cc2F)c1.
What is the InChIKey of 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide?
The InChIKey is ZOZOUUDDWIDHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-9-4-12(11(17)5-10(9)16)19-13(20)6-1-7(15)3-8(18)2-6/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide?
3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide has a molecular weight of 361.57 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide is sourced from PubChem (CID 102852308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).