N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide

C13H8BrClF2N2O — CID 43549777

IUPACN-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
SMILESNc1cc(NC(=O)c2cc(Br)ccc2Cl)c(F)cc1F
InChIInChI=1S/C13H8BrClF2N2O/c14-6-1-2-8(15)7(3-6)13(20)19-12-5-11(18)9(16)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeySURGYZCXGFEWEK-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

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

N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide (PubChem CID 43549777) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
PubChem CID43549777
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC NameN-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
SMILESNc1cc(NC(=O)c2cc(Br)ccc2Cl)c(F)cc1F
InChIInChI=1S/C13H8BrClF2N2O/c14-6-1-2-8(15)7(3-6)13(20)19-12-5-11(18)9(16)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeySURGYZCXGFEWEK-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'}

Analyze N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729211
N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
CID 43549821
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
CID 61090845
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide (CID 43549777) is N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide is Nc1cc(NC(=O)c2cc(Br)ccc2Cl)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide?
The InChIKey is SURGYZCXGFEWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-6-1-2-8(15)7(3-6)13(20)19-12-5-11(18)9(16)4-10(12)17/h1-5H,18H2,(H,19,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide?
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide 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 N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 43549777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).