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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Related Compounds

2-Aminoquinazoline-4-carboxy-(4-bromophenyl)amide
CID 24749595
N-(3-Bromo-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide
CID 44621663
3-{[4-(Quinolin-5-ylamino)pyrimidin-2-yl]amino}benzamide
CID 25138041
N-[4-(3-Bromo-4-fluoro-phenylamino)-quinazolin-6-yl]-acrylamide
CID 10691590
N-[4-[(3-bromophenyl)methyl]quinazolin-6-yl]prop-2-enamide
CID 44564165
N-[4-[(3-bromo-4-fluorophenyl)methyl]quinazolin-6-yl]prop-2-enamide
CID 44564439
2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide
CID 2326989
3-(2-aminoquinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)-benzamide
CID 11538753
5-(2-aminoquinazolin-6-yl)-2-fluoro-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086109
3-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
CID 44390706
N-[4-(4-bromo-2-fluoroanilino)quinazolin-6-yl]prop-2-enamide
CID 76325766
4-[[3-[(3-Bromobenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763508

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).