N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide

C13H9BrClFN2O — CID 107997647

IUPACN-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-6-8(2-4-12(9)17)18-13(19)7-1-3-10(15)11(16)5-7/h1-6H,17H2,(H,18,19)
InChIKeyXPMMAOJZIVGSSA-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide

N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide (PubChem CID 107997647) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
PubChem CID107997647
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-6-8(2-4-12(9)17)18-13(19)7-1-3-10(15)11(16)5-7/h1-6H,17H2,(H,18,19)
InChIKeyXPMMAOJZIVGSSA-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-3-fluorobenzamide
CID 82861950
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
N-(3-carbamothioyl-4-fluorophenyl)-4-chloro-3-fluorobenzamide
CID 107987783
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide (CID 107997647) is N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide is Nc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide?
The InChIKey is XPMMAOJZIVGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-9-6-8(2-4-12(9)17)18-13(19)7-1-3-10(15)11(16)5-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide?
N-(4-amino-3-bromophenyl)-4-chloro-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-bromophenyl)-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 107997647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).