3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide

C16H22BrN3O3 — CID 51193380

IUPAC3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O3/c1-4-20(10-14(21)19-11(2)3)15(22)9-18-16(23)12-6-5-7-13(17)8-12/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyRZYFKGVSZNPQJY-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.55
Rot. Bonds7

About 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide

3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 51193380) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID51193380
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC Name3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O3/c1-4-20(10-14(21)19-11(2)3)15(22)9-18-16(23)12-6-5-7-13(17)8-12/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyRZYFKGVSZNPQJY-UHFFFAOYSA-N
XLogP1.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51186193
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 9475595
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107034454
1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 78847234
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide (CID 51193380) is 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RZYFKGVSZNPQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3/c1-4-20(10-14(21)19-11(2)3)15(22)9-18-16(23)12-6-5-7-13(17)8-12/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 384.27 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51193380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).