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

C12H15ClN2O4 — CID 61399303

IUPAC2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
SMILESCCN(CCO)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O4/c1-2-15(5-6-16)12(19)14-8-3-4-9(11(17)18)10(13)7-8/h3-4,7,16H,2,5-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyZPBCAMDNGIRATD-UHFFFAOYSA-N
MW286.71 g/mol
LogP1.88
Rot. Bonds5

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

2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid (PubChem CID 61399303) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
PubChem CID61399303
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
SMILESCCN(CCO)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O4/c1-2-15(5-6-16)12(19)14-8-3-4-9(11(17)18)10(13)7-8/h3-4,7,16H,2,5-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyZPBCAMDNGIRATD-UHFFFAOYSA-N
XLogP1.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63691124
2-chloro-4-[[ethyl(2-methylbutyl)carbamoyl]amino]benzoic acid
CID 79480959
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110929101
1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115914152
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863
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-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid (CID 61399303) is 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid is CCN(CCO)C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The InChIKey is ZPBCAMDNGIRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-2-15(5-6-16)12(19)14-8-3-4-9(11(17)18)10(13)7-8/h3-4,7,16H,2,5-6H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid has a molecular weight of 286.71 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61399303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).