4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide

C17H17BrFNO — CID 63525115

IUPAC4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C17H17BrFNO/c1-17(2,3)12-6-4-5-7-15(12)20-16(21)11-8-9-13(18)14(19)10-11/h4-10H,1-3H3,(H,20,21)
InChIKeyBHFDXGJTGKDPLY-UHFFFAOYSA-N
MW350.23 g/mol
LogP5.14
Rot. Bonds2

About 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide

4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide (PubChem CID 63525115) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
PubChem CID63525115
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C17H17BrFNO/c1-17(2,3)12-6-4-5-7-15(12)20-16(21)11-8-9-13(18)14(19)10-11/h4-10H,1-3H3,(H,20,21)
InChIKeyBHFDXGJTGKDPLY-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.23
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
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4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62679068
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
N-(2-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109268225
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
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CID 7688668

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide (CID 63525115) is 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide?
The InChIKey is BHFDXGJTGKDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-17(2,3)12-6-4-5-7-15(12)20-16(21)11-8-9-13(18)14(19)10-11/h4-10H,1-3H3,(H,20,21).
What are the key properties of 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide?
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide has a molecular weight of 350.23 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 63525115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).