ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate

C17H17BrN2O3 — CID 9159193

IUPACethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O3/c1-3-23-17(22)19-14-7-4-12(5-8-14)16(21)20-15-9-6-13(18)10-11(15)2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHNNHCGDIFPUJBT-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.58
Rot. Bonds4

About ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate

ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 9159193) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
PubChem CID9159193
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Nameethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O3/c1-3-23-17(22)19-14-7-4-12(5-8-14)16(21)20-15-9-6-13(18)10-11(15)2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHNNHCGDIFPUJBT-UHFFFAOYSA-N
XLogP4.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate
CID 112989101
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654281
methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108528189
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate (CID 9159193) is ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is HNNHCGDIFPUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-3-23-17(22)19-14-7-4-12(5-8-14)16(21)20-15-9-6-13(18)10-11(15)2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 377.24 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9159193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).