4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide

C12H14BrFN2O2 — CID 60956172

IUPAC4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c1-3-15-11(17)7-16(2)12(18)9-5-4-8(13)6-10(9)14/h4-6H,3,7H2,1-2H3,(H,15,17)
InChIKeyYPBDMFFECDCDLG-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.80
Rot. Bonds4

About 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide

4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide (PubChem CID 60956172) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
PubChem CID60956172
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c1-3-15-11(17)7-16(2)12(18)9-5-4-8(13)6-10(9)14/h4-6H,3,7H2,1-2H3,(H,15,17)
InChIKeyYPBDMFFECDCDLG-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
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CID 43271494
4-bromo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-sulfanylbenzamide
CID 107024860
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
CID 55218765
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide
CID 80673461
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide (CID 60956172) is 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide?
The InChIKey is YPBDMFFECDCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c1-3-15-11(17)7-16(2)12(18)9-5-4-8(13)6-10(9)14/h4-6H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide?
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide has a molecular weight of 317.16 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 60956172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).