3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

C19H20BrFN2O2 — CID 55892094

IUPAC3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C19H20BrFN2O2/c1-4-19(2,3)23-18(25)12-5-7-16(8-6-12)22-17(24)13-9-14(20)11-15(21)10-13/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBJIGGAQYKYAMCT-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.76
Rot. Bonds5

About 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 55892094) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID55892094
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC Name3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C19H20BrFN2O2/c1-4-19(2,3)23-18(25)12-5-7-16(8-6-12)22-17(24)13-9-14(20)11-15(21)10-13/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBJIGGAQYKYAMCT-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221441
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425
3-chloro-6-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55891317
4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide
CID 55920082
3-bromo-N-(3-carbamothioylpentan-3-yl)-5-fluorobenzamide
CID 61121402
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-fluorobenzamide
CID 114008312
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 51189018
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (CID 55892094) is 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is BJIGGAQYKYAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O2/c1-4-19(2,3)23-18(25)12-5-7-16(8-6-12)22-17(24)13-9-14(20)11-15(21)10-13/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 407.28 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55892094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).