methyl 4,5-dichloro-2-(methylamino)benzoate

C9H9Cl2NO2 — CID 156642662

IUPACmethyl 4,5-dichloro-2-(methylamino)benzoate
SMILESCNc1cc(Cl)c(Cl)cc1C(=O)OC
InChIInChI=1S/C9H9Cl2NO2/c1-12-8-4-7(11)6(10)3-5(8)9(13)14-2/h3-4,12H,1-2H3
InChIKeyUGGRSKKGCRLLKV-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.82
Rot. Bonds2

About methyl 4,5-dichloro-2-(methylamino)benzoate

methyl 4,5-dichloro-2-(methylamino)benzoate (PubChem CID 156642662) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 4,5-dichloro-2-(methylamino)benzoate.

Molecular Properties

Compound Namemethyl 4,5-dichloro-2-(methylamino)benzoate
PubChem CID156642662
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 4,5-dichloro-2-(methylamino)benzoate
SMILESCNc1cc(Cl)c(Cl)cc1C(=O)OC
InChIInChI=1S/C9H9Cl2NO2/c1-12-8-4-7(11)6(10)3-5(8)9(13)14-2/h3-4,12H,1-2H3
InChIKeyUGGRSKKGCRLLKV-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
4,5-dichloro-2-methoxycarbonylbenzoate
CID 71345963
methyl 2-tert-butyl-4,5-dichlorobenzoate
CID 59441386
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
ethane;methyl 2-acetamido-4-chloro-5-methylbenzoate
CID 166531649
methyl 2-acetamido-4-chloro-5-iodobenzoate
CID 10689426
methyl 2-acetyloxy-4,5-dichlorobenzoate
CID 23046714
methyl 4,5-dichloro-2-(2-phenylpropanoylamino)benzoate
CID 68815872
methyl 3-amino-4,5-dichloro-2-hydroxybenzoate
CID 23046751
methyl 2-(methylamino)-5-nitrosobenzoate
CID 82254168
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228224

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dichloro-2-(methylamino)benzoate?
The IUPAC name of methyl 4,5-dichloro-2-(methylamino)benzoate (CID 156642662) is methyl 4,5-dichloro-2-(methylamino)benzoate.
What is the SMILES notation for methyl 4,5-dichloro-2-(methylamino)benzoate?
The canonical SMILES for methyl 4,5-dichloro-2-(methylamino)benzoate is CNc1cc(Cl)c(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 4,5-dichloro-2-(methylamino)benzoate?
The InChIKey is UGGRSKKGCRLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-12-8-4-7(11)6(10)3-5(8)9(13)14-2/h3-4,12H,1-2H3.
What are the key properties of methyl 4,5-dichloro-2-(methylamino)benzoate?
methyl 4,5-dichloro-2-(methylamino)benzoate has a molecular weight of 234.08 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dichloro-2-(methylamino)benzoate is sourced from PubChem (CID 156642662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).