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

C13H9BrF2N2O — CID 102852339

IUPAC3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)c(F)cc2F)c1
InChIInChI=1S/C13H9BrF2N2O/c14-9-5-12(11(16)6-10(9)15)18-13(19)7-2-1-3-8(17)4-7/h1-6H,17H2,(H,18,19)
InChIKeyZBMBPYLRACKHNH-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.56
Rot. Bonds2

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

3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide (PubChem CID 102852339) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
PubChem CID102852339
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)c(F)cc2F)c1
InChIInChI=1S/C13H9BrF2N2O/c14-9-5-12(11(16)6-10(9)15)18-13(19)7-2-1-3-8(17)4-7/h1-6H,17H2,(H,18,19)
InChIKeyZBMBPYLRACKHNH-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.56
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)-5-chlorobenzamide
CID 102852308
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
CID 102852363
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
N-(5-amino-2,4-difluorophenyl)-3-hydroxybenzamide
CID 43549881

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide?
The IUPAC name of 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide (CID 102852339) is 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide?
The canonical SMILES for 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide is Nc1cccc(C(=O)Nc2cc(Br)c(F)cc2F)c1.
What is the InChIKey of 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide?
The InChIKey is ZBMBPYLRACKHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-5-12(11(16)6-10(9)15)18-13(19)7-2-1-3-8(17)4-7/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide?
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide has a molecular weight of 327.13 g/mol, XLogP of 3.56, 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)benzamide is sourced from PubChem (CID 102852339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).