2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid

C15H18ClNO4 — CID 106500745

IUPAC2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCC(Oc1ccc(Cl)c(C(=O)O)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H18ClNO4/c1-9(14(18)17-10-4-2-3-5-10)21-11-6-7-13(16)12(8-11)15(19)20/h6-10H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyWAPDHPUOHCETMC-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.86
Rot. Bonds5

About 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid

2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid (PubChem CID 106500745) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
PubChem CID106500745
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCC(Oc1ccc(Cl)c(C(=O)O)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H18ClNO4/c1-9(14(18)17-10-4-2-3-5-10)21-11-6-7-13(16)12(8-11)15(19)20/h6-10H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyWAPDHPUOHCETMC-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 106500687
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid
CID 106500798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The IUPAC name of 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid (CID 106500745) is 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid.
What is the SMILES notation for 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The canonical SMILES for 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid is CC(Oc1ccc(Cl)c(C(=O)O)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The InChIKey is WAPDHPUOHCETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9(14(18)17-10-4-2-3-5-10)21-11-6-7-13(16)12(8-11)15(19)20/h6-10H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid?
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid has a molecular weight of 311.76 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 106500745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).