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

C14H19ClN2O4 — CID 79379273

IUPAC4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
SMILESCCN(CC(C)(C)O)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-4-17(8-14(2,3)21)13(20)16-11-7-9(15)5-6-10(11)12(18)19/h5-7,21H,4,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySQOPQDZPRXLNQE-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.66
Rot. Bonds5

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

4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid (PubChem CID 79379273) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
PubChem CID79379273
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
SMILESCCN(CC(C)(C)O)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-4-17(8-14(2,3)21)13(20)16-11-7-9(15)5-6-10(11)12(18)19/h5-7,21H,4,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySQOPQDZPRXLNQE-UHFFFAOYSA-N
XLogP2.66
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61194941
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
5-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 79377238
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
4-chloro-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426178
4-chloro-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62335862
4-chloro-2-[(3-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 103018039
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-chlorobenzoic acid
CID 115432260
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid (CID 79379273) is 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid is CCN(CC(C)(C)O)C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid?
The InChIKey is SQOPQDZPRXLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-17(8-14(2,3)21)13(20)16-11-7-9(15)5-6-10(11)12(18)19/h5-7,21H,4,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid?
4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid has a molecular weight of 314.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 79379273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).