N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide

C17H17BrN2O2 — CID 42884462

IUPACN-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-12(14-8-5-9-15(18)10-14)20-16(21)11-19-17(22)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyIFMCGQTVTNVGIV-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.06
Rot. Bonds5

About N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide

N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 42884462) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID42884462
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-12(14-8-5-9-15(18)10-14)20-16(21)11-19-17(22)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyIFMCGQTVTNVGIV-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
(2S)-2-amino-N-[2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82964432
3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
CID 103856534
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide (CID 42884462) is N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide is CC(NC(=O)CNC(=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is IFMCGQTVTNVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12(14-8-5-9-15(18)10-14)20-16(21)11-19-17(22)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide?
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42884462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).