4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide

C14H14BrFN4O3 — CID 133441057

IUPAC4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCc1cc(NC(=O)CN(C)c2cc(Br)cc(F)c2C(N)=O)no1
InChIInChI=1S/C14H14BrFN4O3/c1-7-3-11(19-23-7)18-12(21)6-20(2)10-5-8(15)4-9(16)13(10)14(17)22/h3-5H,6H2,1-2H3,(H2,17,22)(H,18,19,21)
InChIKeyIEGBMLAOAFRPTP-UHFFFAOYSA-N
MW385.19 g/mol
LogP2.06
Rot. Bonds5

About 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide

4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide (PubChem CID 133441057) has the molecular formula C14H14BrFN4O3 and a molecular weight of 385.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
PubChem CID133441057
Molecular FormulaC14H14BrFN4O3
Molecular Weight385.19 g/mol
Exact Mass384.02
IUPAC Name4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCc1cc(NC(=O)CN(C)c2cc(Br)cc(F)c2C(N)=O)no1
InChIInChI=1S/C14H14BrFN4O3/c1-7-3-11(19-23-7)18-12(21)6-20(2)10-5-8(15)4-9(16)13(10)14(17)22/h3-5H,6H2,1-2H3,(H2,17,22)(H,18,19,21)
InChIKeyIEGBMLAOAFRPTP-UHFFFAOYSA-N
XLogP2.06
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide with MolForge

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Related Compounds

2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146139528
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135099990
3-bromo-5-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 110614679
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 146084098
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide (CID 133441057) is 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide is Cc1cc(NC(=O)CN(C)c2cc(Br)cc(F)c2C(N)=O)no1.
What is the InChIKey of 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
The InChIKey is IEGBMLAOAFRPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O3/c1-7-3-11(19-23-7)18-12(21)6-20(2)10-5-8(15)4-9(16)13(10)14(17)22/h3-5H,6H2,1-2H3,(H2,17,22)(H,18,19,21).
What are the key properties of 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide has a molecular weight of 385.19 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 133441057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).