2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide

C14H11BrF2N2O — CID 107608664

IUPAC2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-3-2-4-11(18)13(7)14(20)19-12-6-9(16)8(15)5-10(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYOFXAOPSIXCMHK-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.87
Rot. Bonds2

About 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide

2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide (PubChem CID 107608664) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide
PubChem CID107608664
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-3-2-4-11(18)13(7)14(20)19-12-6-9(16)8(15)5-10(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYOFXAOPSIXCMHK-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.87
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

5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
2-amino-N-(2-chloro-5-fluorophenyl)-6-methylbenzamide
CID 107526569
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide (CID 107608664) is 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide?
The InChIKey is YOFXAOPSIXCMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-3-2-4-11(18)13(7)14(20)19-12-6-9(16)8(15)5-10(12)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide?
2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide has a molecular weight of 341.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide is sourced from PubChem (CID 107608664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).