methyl N-[(2,3-dichlorophenyl)methyl]carbamate

C9H9Cl2NO2 — CID 11673101

IUPACmethyl N-[(2,3-dichlorophenyl)methyl]carbamate
SMILESCOC(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)12-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyOJDRRLVXUZRDLF-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.85
Rot. Bonds2

About methyl N-[(2,3-dichlorophenyl)methyl]carbamate

methyl N-[(2,3-dichlorophenyl)methyl]carbamate (PubChem CID 11673101) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl N-[(2,3-dichlorophenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,3-dichlorophenyl)methyl]carbamate
PubChem CID11673101
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl N-[(2,3-dichlorophenyl)methyl]carbamate
SMILESCOC(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)12-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyOJDRRLVXUZRDLF-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2-chloro-3-hydroxyphenyl)methyl]carbamate
CID 135396493
(2S)-2-amino-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide
CID 57022701
3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide
CID 148837488
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
(E)-N-[(2,3-dichlorophenyl)methyl]-3-ethoxy-3-hydroxyprop-2-enamide
CID 134090203
(E)-4-[(2,3-dichlorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 134114688
tert-butyl N-[(2-chloro-3-fluorophenyl)methyl]carbamate
CID 137347631
5-[(2,3-dichlorophenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 134107047
2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid
CID 82364686
methyl N-[(2-methylsulfanylphenyl)methyl]carbamate
CID 110477809
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 55819799

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,3-dichlorophenyl)methyl]carbamate?
The IUPAC name of methyl N-[(2,3-dichlorophenyl)methyl]carbamate (CID 11673101) is methyl N-[(2,3-dichlorophenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2,3-dichlorophenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(2,3-dichlorophenyl)methyl]carbamate is COC(=O)NCc1cccc(Cl)c1Cl.
What is the InChIKey of methyl N-[(2,3-dichlorophenyl)methyl]carbamate?
The InChIKey is OJDRRLVXUZRDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-9(13)12-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of methyl N-[(2,3-dichlorophenyl)methyl]carbamate?
methyl N-[(2,3-dichlorophenyl)methyl]carbamate has a molecular weight of 234.08 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,3-dichlorophenyl)methyl]carbamate is sourced from PubChem (CID 11673101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).