N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide

C14H12BrFN2O — CID 81481979

IUPACN-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)c(N)c2)c1F
InChIInChI=1S/C14H12BrFN2O/c1-8-3-2-4-10(13(8)16)14(19)18-9-5-6-11(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyINYUQBPDXSVEJN-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide

N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 81481979) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
PubChem CID81481979
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)c(N)c2)c1F
InChIInChI=1S/C14H12BrFN2O/c1-8-3-2-4-10(13(8)16)14(19)18-9-5-6-11(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyINYUQBPDXSVEJN-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.73
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)-2-fluoro-3-methylbenzamide
CID 82861951
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide (CID 81481979) is N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Br)c(N)c2)c1F.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is INYUQBPDXSVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-3-2-4-10(13(8)16)14(19)18-9-5-6-11(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide?
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 323.17 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).