methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate

C16H15BrClNO3 — CID 129038323

IUPACmethyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
SMILESCOC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1Br
InChIInChI=1S/C16H15BrClNO3/c1-10-6-7-15(12(17)8-10)22-9-11-13(18)4-3-5-14(11)19-16(20)21-2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyUYAAIIPZCMKUTG-UHFFFAOYSA-N
MW384.66 g/mol
LogP5.17
Rot. Bonds4

About methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate

methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate (PubChem CID 129038323) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
PubChem CID129038323
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC Namemethyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
SMILESCOC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1Br
InChIInChI=1S/C16H15BrClNO3/c1-10-6-7-15(12(17)8-10)22-9-11-13(18)4-3-5-14(11)19-16(20)21-2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyUYAAIIPZCMKUTG-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.66
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-chloro-2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]phenyl]carbamate
CID 126588620
methyl N-[3-bromo-2-[(2-chloro-4-ethylphenoxy)methyl]phenyl]carbamate
CID 126587713
methyl N-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 158986536
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589
O-methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-iodophenyl]carbamothioate
CID 129038550
methyl N-[3-bromo-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate
CID 161466064
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706
methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 129038513
1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea
CID 144785007
1-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea
CID 129038805
2-(2-bromo-4-methylphenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19190410
fluoromethyl N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 126588118

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate?
The IUPAC name of methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate (CID 129038323) is methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate?
The canonical SMILES for methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate is COC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1Br.
What is the InChIKey of methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate?
The InChIKey is UYAAIIPZCMKUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-10-6-7-15(12(17)8-10)22-9-11-13(18)4-3-5-14(11)19-16(20)21-2/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate?
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate has a molecular weight of 384.66 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate is sourced from PubChem (CID 129038323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).