3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide

C13H8BrClF2N2O — CID 107121554

IUPAC3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2cccc(Cl)c2Br)c1F
InChIInChI=1S/C13H8BrClF2N2O/c14-11-8(15)2-1-3-10(11)19-13(20)7-4-6(16)5-9(18)12(7)17/h1-5H,18H2,(H,19,20)
InChIKeyRZPIOKBQPZZTSV-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

About 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide

3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide (PubChem CID 107121554) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
PubChem CID107121554
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2cccc(Cl)c2Br)c1F
InChIInChI=1S/C13H8BrClF2N2O/c14-11-8(15)2-1-3-10(11)19-13(20)7-4-6(16)5-9(18)12(7)17/h1-5H,18H2,(H,19,20)
InChIKeyRZPIOKBQPZZTSV-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'}

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Related Compounds

2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
CID 107120481
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
CID 107120471
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
N-(2-bromo-3-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 103480092
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide (CID 107121554) is 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide is Nc1cc(F)cc(C(=O)Nc2cccc(Cl)c2Br)c1F.
What is the InChIKey of 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide?
The InChIKey is RZPIOKBQPZZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-11-8(15)2-1-3-10(11)19-13(20)7-4-6(16)5-9(18)12(7)17/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide?
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide 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-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107121554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).