N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide

C13H9BrClFN2O — CID 82861957

IUPACN-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(F)c2Br)cc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-12-8(2-1-3-10(12)16)13(19)18-7-4-5-11(17)9(15)6-7/h1-6H,17H2,(H,18,19)
InChIKeyOOXVLTOEWKGMKR-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide

N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide (PubChem CID 82861957) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
PubChem CID82861957
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(F)c2Br)cc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-12-8(2-1-3-10(12)16)13(19)18-7-4-5-11(17)9(15)6-7/h1-6H,17H2,(H,18,19)
InChIKeyOOXVLTOEWKGMKR-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

N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide (CID 82861957) is N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide is Nc1ccc(NC(=O)c2cccc(F)c2Br)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide?
The InChIKey is OOXVLTOEWKGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-12-8(2-1-3-10(12)16)13(19)18-7-4-5-11(17)9(15)6-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide?
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide 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 N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide is sourced from PubChem (CID 82861957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).