methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate

C16H17BrN2O2 — CID 43730312

IUPACmethyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(14-5-3-4-6-15(14)17)18-12-7-9-13(10-8-12)19-16(20)21-2/h3-11,18H,1-2H3,(H,19,20)
InChIKeyKGIMYCGNUWNZGJ-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.80
Rot. Bonds4

About methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate

methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate (PubChem CID 43730312) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate
PubChem CID43730312
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Namemethyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(14-5-3-4-6-15(14)17)18-12-7-9-13(10-8-12)19-16(20)21-2/h3-11,18H,1-2H3,(H,19,20)
InChIKeyKGIMYCGNUWNZGJ-UHFFFAOYSA-N
XLogP4.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-[1-(2-bromophenyl)ethylamino]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

N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
CID 172883004
methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate
CID 43787990
N-[1-(2-bromophenyl)ethyl]-4-propylaniline
CID 43097008
N-[1-(2-bromophenyl)ethyl]-4-butan-2-ylaniline
CID 43681132
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
CID 51333812
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 81378359
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate (CID 43730312) is methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(C)c2ccccc2Br)cc1.
What is the InChIKey of methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate?
The InChIKey is KGIMYCGNUWNZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(14-5-3-4-6-15(14)17)18-12-7-9-13(10-8-12)19-16(20)21-2/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate?
methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate has a molecular weight of 349.23 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 43730312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).