4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H19BrN2O2 — CID 8892305

IUPAC4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-4-17(9-13(18)16-10(2)3)14(19)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyNKJMZUYABSPWAU-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.44
Rot. Bonds5

About 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 8892305) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID8892305
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-4-17(9-13(18)16-10(2)3)14(19)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyNKJMZUYABSPWAU-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 18136198
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
5-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 60725372
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212
N-ethyl-4-(2-oxoimidazolidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 51299130
N-ethyl-4-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 24529355
N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 51205488
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 8892305) is 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is NKJMZUYABSPWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-4-17(9-13(18)16-10(2)3)14(19)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 8892305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).