5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide

C14H11Br2FN2O — CID 103296247

IUPAC5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cc(Br)ccc2Br)c1F
InChIInChI=1S/C14H11Br2FN2O/c1-7-4-9(18)6-10(13(7)17)14(20)19-12-5-8(15)2-3-11(12)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLRPLWQAWPJKIQM-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.49
Rot. Bonds2

About 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide

5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296247) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
PubChem CID103296247
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC Name5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cc(Br)ccc2Br)c1F
InChIInChI=1S/C14H11Br2FN2O/c1-7-4-9(18)6-10(13(7)17)14(20)19-12-5-8(15)2-3-11(12)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLRPLWQAWPJKIQM-UHFFFAOYSA-N
XLogP4.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.49
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

5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 103296580
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
5-amino-N-(2,5-dibromophenyl)-2-methylpyridine-3-carboxamide
CID 61466356
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide
CID 107025028

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide (CID 103296247) is 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2cc(Br)ccc2Br)c1F.
What is the InChIKey of 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is LRPLWQAWPJKIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c1-7-4-9(18)6-10(13(7)17)14(20)19-12-5-8(15)2-3-11(12)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 402.06 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).