3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide

C17H16BrClN2O2 — CID 24544523

IUPAC3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c1-11(12-5-7-15(19)8-6-12)21-16(22)10-20-17(23)13-3-2-4-14(18)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKBVVLNCCXHZJFK-UHFFFAOYSA-N
MW395.68 g/mol
LogP3.71
Rot. Bonds5

About 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide

3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 24544523) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID24544523
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c1-11(12-5-7-15(19)8-6-12)21-16(22)10-20-17(23)13-3-2-4-14(18)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKBVVLNCCXHZJFK-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
CID 103856534
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662881
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46654447
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide (CID 24544523) is 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide is CC(NC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is KBVVLNCCXHZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11(12-5-7-15(19)8-6-12)21-16(22)10-20-17(23)13-3-2-4-14(18)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 395.68 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24544523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).