N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide

C23H21BrN2O2 — CID 55350026

IUPACN-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H21BrN2O2/c1-16(17-11-13-21(24)14-12-17)26-22(27)15-25-23(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeySZUQODRNWRDCOR-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.72
Rot. Bonds6

About N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 55350026) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID55350026
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC NameN-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H21BrN2O2/c1-16(17-11-13-21(24)14-12-17)26-22(27)15-25-23(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeySZUQODRNWRDCOR-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.72
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
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 94215803
N-[2-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55946374
(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 79009373
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
CID 18156676

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide (CID 55350026) is N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide is CC(NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is SZUQODRNWRDCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-16(17-11-13-21(24)14-12-17)26-22(27)15-25-23(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 437.34 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 55350026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).