4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide

C22H19BrN2O3 — CID 56545771

IUPAC4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide
SMILESCC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H19BrN2O3/c1-14(17-3-2-4-18(23)13-17)25-22(27)16-7-11-20(12-8-16)28-19-9-5-15(6-10-19)21(24)26/h2-14H,1H3,(H2,24,26)(H,25,27)
InChIKeyJVBFHBJFXIQXBH-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.83
Rot. Bonds6

About 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide

4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide (PubChem CID 56545771) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide
PubChem CID56545771
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide
SMILESCC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H19BrN2O3/c1-14(17-3-2-4-18(23)13-17)25-22(27)16-7-11-20(12-8-16)28-19-9-5-15(6-10-19)21(24)26/h2-14H,1H3,(H2,24,26)(H,25,27)
InChIKeyJVBFHBJFXIQXBH-UHFFFAOYSA-N
XLogP4.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
4-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]phenoxy]benzamide
CID 56545585
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184
tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate
CID 55575237
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide (CID 56545771) is 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide is CC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1cccc(Br)c1.
What is the InChIKey of 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide?
The InChIKey is JVBFHBJFXIQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-14(17-3-2-4-18(23)13-17)25-22(27)16-7-11-20(12-8-16)28-19-9-5-15(6-10-19)21(24)26/h2-14H,1H3,(H2,24,26)(H,25,27).
What are the key properties of 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide?
4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).