N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide

C13H16BrFN2O2 — CID 60732695

IUPACN-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN2O2/c1-8(2)6-17(7-12(16)18)13(19)10-5-9(14)3-4-11(10)15/h3-5,8H,6-7H2,1-2H3,(H2,16,18)
InChIKeyOZJJYIBZXFYPIW-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.17
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide

N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 60732695) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID60732695
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC NameN-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN2O2/c1-8(2)6-17(7-12(16)18)13(19)10-5-9(14)3-4-11(10)15/h3-5,8H,6-7H2,1-2H3,(H2,16,18)
InChIKeyOZJJYIBZXFYPIW-UHFFFAOYSA-N
XLogP2.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611177
3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 79773800
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
CID 63525644
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765072
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 120517221
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
methyl 2-[bis(2-methylpropyl)carbamoyl]-5-bromobenzoate
CID 176716063
N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 103278143

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide (CID 60732695) is N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CC(N)=O)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is OZJJYIBZXFYPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-8(2)6-17(7-12(16)18)13(19)10-5-9(14)3-4-11(10)15/h3-5,8H,6-7H2,1-2H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide?
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 331.19 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60732695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).