4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid

C13H17ClN2O4 — CID 61447781

IUPAC4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
SMILESCCN(CCOC)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H17ClN2O4/c1-3-16(6-7-20-2)13(19)15-11-8-9(14)4-5-10(11)12(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRLUWWGLZZDBXHA-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.54
Rot. Bonds6

About 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid

4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid (PubChem CID 61447781) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
PubChem CID61447781
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
SMILESCCN(CCOC)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H17ClN2O4/c1-3-16(6-7-20-2)13(19)15-11-8-9(14)4-5-10(11)12(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRLUWWGLZZDBXHA-UHFFFAOYSA-N
XLogP2.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic 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

4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
4-chloro-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452738
4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61194941
4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
CID 79379273
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
4-bromo-2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63692734
2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63692374
5-chloro-N-ethyl-N-(2-methoxyethyl)-2-(methylamino)benzamide
CID 55046766
2-[(5-chloro-2-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272026
2-bromo-5-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 115296787

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid (CID 61447781) is 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid is CCN(CCOC)C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
The InChIKey is RLUWWGLZZDBXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-3-16(6-7-20-2)13(19)15-11-8-9(14)4-5-10(11)12(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid has a molecular weight of 300.74 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61447781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).