N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide

C12H14BrFN2O2 — CID 115678505

IUPACN-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFN2O2/c1-7(2)16(6-10(15)17)12(18)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3,(H2,15,17)
InChIKeyBUJVSRBRSRWMPE-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.92
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide

N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide (PubChem CID 115678505) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
PubChem CID115678505
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC NameN-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFN2O2/c1-7(2)16(6-10(15)17)12(18)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3,(H2,15,17)
InChIKeyBUJVSRBRSRWMPE-UHFFFAOYSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
CID 113366951
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-N-ethyl-6-fluorobenzamide
CID 114559245
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
CID 114559509
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide (CID 115678505) is N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide is CC(C)N(CC(N)=O)C(=O)c1c(F)cccc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide?
The InChIKey is BUJVSRBRSRWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c1-7(2)16(6-10(15)17)12(18)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3,(H2,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide?
N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide has a molecular weight of 317.16 g/mol, XLogP of 1.92, 4 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)-2-bromo-6-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 115678505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).