N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide

C15H12BrF2NO2 — CID 103842569

IUPACN-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-8-3-4-14(21-2)9(5-8)15(20)19-13-7-11(17)10(16)6-12(13)18/h3-7H,1-2H3,(H,19,20)
InChIKeyFDVCNTQTPYVPFR-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.30
Rot. Bonds3

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

N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide (PubChem CID 103842569) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
PubChem CID103842569
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-8-3-4-14(21-2)9(5-8)15(20)19-13-7-11(17)10(16)6-12(13)18/h3-7H,1-2H3,(H,19,20)
InChIKeyFDVCNTQTPYVPFR-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide 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-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
CID 107616577
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
CID 102854031
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
CID 113330149
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide (CID 103842569) is N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is FDVCNTQTPYVPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-8-3-4-14(21-2)9(5-8)15(20)19-13-7-11(17)10(16)6-12(13)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide?
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 356.17 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 103842569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).