N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide

C19H21BrN2O2 — CID 113055545

IUPACN-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Br)CCc1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-15(23)22(13-11-16-7-3-2-4-8-16)14-12-21-19(24)17-9-5-6-10-18(17)20/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyOYVFLAFOYYAWCK-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide

N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide (PubChem CID 113055545) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
PubChem CID113055545
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Br)CCc1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-15(23)22(13-11-16-7-3-2-4-8-16)14-12-21-19(24)17-9-5-6-10-18(17)20/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyOYVFLAFOYYAWCK-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide
CID 113052919
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 113056455
ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
CID 113055587
2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889860
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889430
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide?
The IUPAC name of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide (CID 113055545) is N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide?
The canonical SMILES for N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide is CC(=O)N(CCNC(=O)c1ccccc1Br)CCc1ccccc1.
What is the InChIKey of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide?
The InChIKey is OYVFLAFOYYAWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-15(23)22(13-11-16-7-3-2-4-8-16)14-12-21-19(24)17-9-5-6-10-18(17)20/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide?
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide has a molecular weight of 389.29 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide is sourced from PubChem (CID 113055545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).