5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid

C11H14ClNO3 — CID 11806852

IUPAC5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid
SMILESCCOc1cc(N(C)C)c(Cl)cc1C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-4-16-10-6-9(13(2)3)8(12)5-7(10)11(14)15/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyNRLNGYGXFOGMEE-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid

5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid (PubChem CID 11806852) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid
PubChem CID11806852
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid
SMILESCCOc1cc(N(C)C)c(Cl)cc1C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-4-16-10-6-9(13(2)3)8(12)5-7(10)11(14)15/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyNRLNGYGXFOGMEE-UHFFFAOYSA-N
XLogP2.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
5-chloro-2-ethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 168515788
5-chloro-2-ethoxy-4-formamidobenzoic acid
CID 14877393
4-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chloro-2-ethoxybenzoic acid
CID 168605912
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
CID 82553894
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
1-(5-chloro-2,4-diethoxyphenyl)prop-2-en-1-one
CID 83959343
[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
CID 19701623
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid?
The IUPAC name of 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid (CID 11806852) is 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid.
What is the SMILES notation for 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid?
The canonical SMILES for 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid is CCOc1cc(N(C)C)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid?
The InChIKey is NRLNGYGXFOGMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-4-16-10-6-9(13(2)3)8(12)5-7(10)11(14)15/h5-6H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid?
5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid has a molecular weight of 243.69 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(dimethylamino)-2-ethoxybenzoic acid is sourced from PubChem (CID 11806852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).