2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide

C15H12BrFN2O2 — CID 80973481

IUPAC2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C15H12BrFN2O2/c1-8-2-4-12(16)10(6-8)15(21)19-9-3-5-13(17)11(7-9)14(18)20/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyMIRKDDCIDRNACH-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.25
Rot. Bonds3

About 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide

2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide (PubChem CID 80973481) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
PubChem CID80973481
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C15H12BrFN2O2/c1-8-2-4-12(16)10(6-8)15(21)19-9-3-5-13(17)11(7-9)14(18)20/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyMIRKDDCIDRNACH-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

N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
1-(3-bromophenyl)-N-(3-carbamoyl-4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55912306
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 62513164
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide (CID 80973481) is 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1.
What is the InChIKey of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide?
The InChIKey is MIRKDDCIDRNACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-8-2-4-12(16)10(6-8)15(21)19-9-3-5-13(17)11(7-9)14(18)20/h2-7H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide?
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide 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 2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide is sourced from PubChem (CID 80973481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).