3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide

C15H12BrFN2O2 — CID 106544246

IUPAC3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H12BrFN2O2/c1-8-7-9(14(18)20)5-6-12(8)19-15(21)10-3-2-4-11(16)13(10)17/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyRGDYYPARQGEMCC-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.25
Rot. Bonds3

About 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide

3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide (PubChem CID 106544246) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
PubChem CID106544246
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H12BrFN2O2/c1-8-7-9(14(18)20)5-6-12(8)19-15(21)10-3-2-4-11(16)13(10)17/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyRGDYYPARQGEMCC-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
CID 115678377
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 106544263
N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380697
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
3-amino-4-[(3-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 107948835
4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107949226
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide (CID 106544246) is 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide is Cc1cc(C(N)=O)ccc1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide?
The InChIKey is RGDYYPARQGEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-8-7-9(14(18)20)5-6-12(8)19-15(21)10-3-2-4-11(16)13(10)17/h2-7H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide?
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide has a molecular weight of 351.18 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 106544246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).