3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide

C13H9BrClFN2O — CID 112574878

IUPAC3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)ccc2F)c1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-7-4-5-9(16)11(6-7)18-13(19)8-2-1-3-10(17)12(8)15/h1-6H,17H2,(H,18,19)
InChIKeyINYVODJROITMMB-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide

3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide (PubChem CID 112574878) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
PubChem CID112574878
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)ccc2F)c1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-7-4-5-9(16)11(6-7)18-13(19)8-2-1-3-10(17)12(8)15/h1-6H,17H2,(H,18,19)
InChIKeyINYVODJROITMMB-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.08
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

3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
6-amino-N-(5-bromo-2-fluorophenyl)pyridine-2-carboxamide
CID 62239299
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide?
The IUPAC name of 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide (CID 112574878) is 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide is Nc1cccc(C(=O)Nc2cc(Br)ccc2F)c1Cl.
What is the InChIKey of 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide?
The InChIKey is INYVODJROITMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-7-4-5-9(16)11(6-7)18-13(19)8-2-1-3-10(17)12(8)15/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide?
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide has a molecular weight of 343.58 g/mol, XLogP of 4.08, 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-fluorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 112574878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).