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

C15H15BrN2O2 — CID 43730286

IUPACmethyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-15(19)18-13-8-6-12(7-9-13)17-10-11-4-2-3-5-14(11)16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyKTQGQOLDFLHODE-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.24
Rot. Bonds4

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

methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate (PubChem CID 43730286) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
PubChem CID43730286
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Namemethyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-15(19)18-13-8-6-12(7-9-13)17-10-11-4-2-3-5-14(11)16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyKTQGQOLDFLHODE-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 61391356
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
CID 60981212
methyl 2-[4-[(2-bromophenyl)methylamino]phenoxy]acetate
CID 43676822
propan-2-yl 4-[(2-bromophenyl)methylamino]benzoate
CID 43231560
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720767
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
methyl 4-[(2-bromophenyl)methylcarbamoylamino]benzoate
CID 108897938
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate (CID 43730286) is methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate is COC(=O)Nc1ccc(NCc2ccccc2Br)cc1.
What is the InChIKey of methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate?
The InChIKey is KTQGQOLDFLHODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-15(19)18-13-8-6-12(7-9-13)17-10-11-4-2-3-5-14(11)16/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate?
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate has a molecular weight of 335.20 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 43730286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).