(2,3-dichlorophenyl)methyl-methylcarbamic acid

C9H9Cl2NO2 — CID 23189896

IUPAC(2,3-dichlorophenyl)methyl-methylcarbamic acid
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C9H9Cl2NO2/c1-12(9(13)14)5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyUKVBAZUDUSYBGF-UHFFFAOYSA-N
MW234.08 g/mol
LogP3.10
Rot. Bonds2

About (2,3-dichlorophenyl)methyl-methylcarbamic acid

(2,3-dichlorophenyl)methyl-methylcarbamic acid (PubChem CID 23189896) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methyl-methylcarbamic acid
PubChem CID23189896
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name(2,3-dichlorophenyl)methyl-methylcarbamic acid
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C9H9Cl2NO2/c1-12(9(13)14)5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyUKVBAZUDUSYBGF-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060982
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
CID 55589948
2-(cyclopentylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 60686913
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144545
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methyl-methylcarbamic acid?
The IUPAC name of (2,3-dichlorophenyl)methyl-methylcarbamic acid (CID 23189896) is (2,3-dichlorophenyl)methyl-methylcarbamic acid.
What is the SMILES notation for (2,3-dichlorophenyl)methyl-methylcarbamic acid?
The canonical SMILES for (2,3-dichlorophenyl)methyl-methylcarbamic acid is CN(Cc1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of (2,3-dichlorophenyl)methyl-methylcarbamic acid?
The InChIKey is UKVBAZUDUSYBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-12(9(13)14)5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of (2,3-dichlorophenyl)methyl-methylcarbamic acid?
(2,3-dichlorophenyl)methyl-methylcarbamic acid has a molecular weight of 234.08 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methyl-methylcarbamic acid is sourced from PubChem (CID 23189896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).