tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate

C20H23BrN2O3 — CID 55575237

IUPACtert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate
SMILESCC(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-13(15-6-5-7-16(21)12-15)22-18(24)14-8-10-17(11-9-14)23-19(25)26-20(2,3)4/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyYPKLXOCMCOTJCW-UHFFFAOYSA-N
MW419.32 g/mol
LogP5.29
Rot. Bonds4

About tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate

tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate (PubChem CID 55575237) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate
PubChem CID55575237
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Nametert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate
SMILESCC(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-13(15-6-5-7-16(21)12-15)22-18(24)14-8-10-17(11-9-14)23-19(25)26-20(2,3)4/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyYPKLXOCMCOTJCW-UHFFFAOYSA-N
XLogP5.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.32
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545771
tert-butyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoate
CID 81375746
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9264258
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
CID 45351440
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184
tert-butyl N-[1-[1-(3-bromophenyl)ethylamino]butan-2-yl]carbamate
CID 107250353
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate (CID 55575237) is tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate is CC(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc(Br)c1.
What is the InChIKey of tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate?
The InChIKey is YPKLXOCMCOTJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13(15-6-5-7-16(21)12-15)22-18(24)14-8-10-17(11-9-14)23-19(25)26-20(2,3)4/h5-13H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate?
tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate has a molecular weight of 419.32 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 55575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).