methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate

C10H11Cl2NO3 — CID 110782986

IUPACmethyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
SMILESCOC(=O)NCc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C10H11Cl2NO3/c1-15-9-6(5-13-10(14)16-2)3-7(11)4-8(9)12/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyRVLIAWXXSDQHSP-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.86
Rot. Bonds3

About methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate

methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate (PubChem CID 110782986) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
PubChem CID110782986
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Namemethyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
SMILESCOC(=O)NCc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C10H11Cl2NO3/c1-15-9-6(5-13-10(14)16-2)3-7(11)4-8(9)12/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyRVLIAWXXSDQHSP-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
N-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]carbamoyl bromide
CID 115193935
2-(3,5-dichloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769515
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
4-[[(3,5-dichloro-2-methoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6461452
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
CID 110782925

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate?
The IUPAC name of methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate (CID 110782986) is methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate is COC(=O)NCc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate?
The InChIKey is RVLIAWXXSDQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-15-9-6(5-13-10(14)16-2)3-7(11)4-8(9)12/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate?
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate has a molecular weight of 264.11 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 110782986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).