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

C14H19ClN2O4 — CID 63691124

IUPAC2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
SMILESCCOCCN(CC)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-3-17(7-8-21-4-2)14(20)16-10-5-6-11(13(18)19)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYXVJDIUWVWZQCK-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.93
Rot. Bonds7

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

2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid (PubChem CID 63691124) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
PubChem CID63691124
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
SMILESCCOCCN(CC)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-3-17(7-8-21-4-2)14(20)16-10-5-6-11(13(18)19)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYXVJDIUWVWZQCK-UHFFFAOYSA-N
XLogP2.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
2-chloro-4-[[ethyl(2-methylbutyl)carbamoyl]amino]benzoic acid
CID 79480959
4-bromo-2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63692734
2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63692374
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
2-bromo-5-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 115296787
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
2-chloro-4-[2-ethoxyethyl(ethyl)sulfamoyl]benzoic acid
CID 107090087
2-chloro-4-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 61429324
2-chloro-4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 62636703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid (CID 63691124) is 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid is CCOCCN(CC)C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid?
The InChIKey is YXVJDIUWVWZQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-17(7-8-21-4-2)14(20)16-10-5-6-11(13(18)19)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid?
2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid has a molecular weight of 314.77 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63691124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).