2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid

C15H18ClNO4 — CID 106500687

IUPAC2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1ccc(Cl)c(C(=O)O)c1)NC1CCCCC1
InChIInChI=1S/C15H18ClNO4/c16-13-7-6-11(8-12(13)15(19)20)21-9-14(18)17-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)(H,19,20)
InChIKeyGXHKXSGSUGUIGR-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.87
Rot. Bonds5

About 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid

2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid (PubChem CID 106500687) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
PubChem CID106500687
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1ccc(Cl)c(C(=O)O)c1)NC1CCCCC1
InChIInChI=1S/C15H18ClNO4/c16-13-7-6-11(8-12(13)15(19)20)21-9-14(18)17-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)(H,19,20)
InChIKeyGXHKXSGSUGUIGR-UHFFFAOYSA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
CID 78977054
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
N-cyclopentyl-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104982186
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
5-[2-(azetidin-1-yl)-2-oxoethoxy]-2-chlorobenzoic acid
CID 106500805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid (CID 106500687) is 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid is O=C(COc1ccc(Cl)c(C(=O)O)c1)NC1CCCCC1.
What is the InChIKey of 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is GXHKXSGSUGUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-13-7-6-11(8-12(13)15(19)20)21-9-14(18)17-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 311.76 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 106500687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).