3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide

C15H10BrFN4O — CID 59325460

IUPAC3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(Nc2ncc3cc(Br)ccc3n2)c1
InChIInChI=1S/C15H10BrFN4O/c16-10-1-2-13-9(3-10)7-19-15(21-13)20-12-5-8(14(18)22)4-11(17)6-12/h1-7H,(H2,18,22)(H,19,20,21)
InChIKeyCFMKJKHVIXKHPT-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.37
Rot. Bonds3

About 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide

3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide (PubChem CID 59325460) has the molecular formula C15H10BrFN4O and a molecular weight of 361.17 g/mol. Its IUPAC name is 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide.

Molecular Properties

Compound Name3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide
PubChem CID59325460
Molecular FormulaC15H10BrFN4O
Molecular Weight361.17 g/mol
Exact Mass360.00
IUPAC Name3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(Nc2ncc3cc(Br)ccc3n2)c1
InChIInChI=1S/C15H10BrFN4O/c16-10-1-2-13-9(3-10)7-19-15(21-13)20-12-5-8(14(18)22)4-11(17)6-12/h1-7H,(H2,18,22)(H,19,20,21)
InChIKeyCFMKJKHVIXKHPT-UHFFFAOYSA-N
XLogP3.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide?
The IUPAC name of 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide (CID 59325460) is 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide.
What is the SMILES notation for 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide?
The canonical SMILES for 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide is NC(=O)c1cc(F)cc(Nc2ncc3cc(Br)ccc3n2)c1.
What is the InChIKey of 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide?
The InChIKey is CFMKJKHVIXKHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4O/c16-10-1-2-13-9(3-10)7-19-15(21-13)20-12-5-8(14(18)22)4-11(17)6-12/h1-7H,(H2,18,22)(H,19,20,21).
What are the key properties of 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide?
3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide has a molecular weight of 361.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoquinazolin-2-yl)amino]-5-fluorobenzamide is sourced from PubChem (CID 59325460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).