methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate

C15H15BrN2O2 — CID 112989101

IUPACmethyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-9-11(16)3-8-14(10)17-12-4-6-13(7-5-12)18-15(19)20-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyLMBXFZHQTIFIOM-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.68
Rot. Bonds3

About methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate

methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate (PubChem CID 112989101) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate
PubChem CID112989101
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Namemethyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-9-11(16)3-8-14(10)17-12-4-6-13(7-5-12)18-15(19)20-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyLMBXFZHQTIFIOM-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108528189
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 9159193
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate
CID 67752029
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991649
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
CID 113050148
1-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]-3-phenylurea
CID 113050162

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate (CID 112989101) is methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate is COC(=O)Nc1ccc(Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate?
The InChIKey is LMBXFZHQTIFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-9-11(16)3-8-14(10)17-12-4-6-13(7-5-12)18-15(19)20-2/h3-9,17H,1-2H3,(H,18,19).
What are the key properties of methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate?
methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate has a molecular weight of 335.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate is sourced from PubChem (CID 112989101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).