dimethylamino 4-chlorobenzoate

C9H10ClNO2 — CID 134848983

IUPACdimethylamino 4-chlorobenzoate
SMILESCN(C)OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11(2)13-9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyZYRZYMSXPKVTEB-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.97
Rot. Bonds2

About dimethylamino 4-chlorobenzoate

dimethylamino 4-chlorobenzoate (PubChem CID 134848983) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is dimethylamino 4-chlorobenzoate.

Molecular Properties

Compound Namedimethylamino 4-chlorobenzoate
PubChem CID134848983
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Namedimethylamino 4-chlorobenzoate
SMILESCN(C)OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11(2)13-9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyZYRZYMSXPKVTEB-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
chloro 4-chlorobenzoate
CID 67325757
2-methylprop-1-enyl 4-chlorobenzoate
CID 10703694
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
CID 146494079
2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
CID 82113368
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
2-methylprop-2-enyl 4-chlorobenzoate
CID 78789028
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
(2-hydroxy-2-methylpropyl) 4-chlorobenzoate
CID 139815240

Frequently Asked Questions

What is the IUPAC name of dimethylamino 4-chlorobenzoate?
The IUPAC name of dimethylamino 4-chlorobenzoate (CID 134848983) is dimethylamino 4-chlorobenzoate.
What is the SMILES notation for dimethylamino 4-chlorobenzoate?
The canonical SMILES for dimethylamino 4-chlorobenzoate is CN(C)OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of dimethylamino 4-chlorobenzoate?
The InChIKey is ZYRZYMSXPKVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-11(2)13-9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3.
What are the key properties of dimethylamino 4-chlorobenzoate?
dimethylamino 4-chlorobenzoate has a molecular weight of 199.64 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 4-chlorobenzoate is sourced from PubChem (CID 134848983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).