methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate

C15H14BrClN2O2 — CID 103697060

IUPACmethyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c1-21-15(20)19-13-4-2-3-12(8-13)18-9-10-7-11(16)5-6-14(10)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyNJYGUECDMIHGFR-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.89
Rot. Bonds4

About methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate

methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate (PubChem CID 103697060) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate
PubChem CID103697060
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Namemethyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c1-21-15(20)19-13-4-2-3-12(8-13)18-9-10-7-11(16)5-6-14(10)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyNJYGUECDMIHGFR-UHFFFAOYSA-N
XLogP4.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 104854030
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CID 103866126
tert-butyl N-[3-[(2-bromo-4-methoxyphenyl)methylamino]phenyl]carbamate
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methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
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N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958
methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
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methyl N-(3-chlorophenyl)carbamate
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tert-butyl 2-[(5-bromo-2-chlorophenyl)methylamino]acetate
CID 113357709
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
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N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate (CID 103697060) is methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate is COC(=O)Nc1cccc(NCc2cc(Br)ccc2Cl)c1.
What is the InChIKey of methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate?
The InChIKey is NJYGUECDMIHGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-21-15(20)19-13-4-2-3-12(8-13)18-9-10-7-11(16)5-6-14(10)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate?
methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate has a molecular weight of 369.65 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 103697060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).