2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid

C14H16ClNO4 — CID 106500317

IUPAC2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(O)ccc2Cl)CCCC1
InChIInChI=1S/C14H16ClNO4/c15-11-4-3-9(17)7-10(11)13(20)16-14(8-12(18)19)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2,(H,16,20)(H,18,19)
InChIKeyCTBHTODNCREWLW-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid

2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid (PubChem CID 106500317) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
PubChem CID106500317
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(O)ccc2Cl)CCCC1
InChIInChI=1S/C14H16ClNO4/c15-11-4-3-9(17)7-10(11)13(20)16-14(8-12(18)19)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2,(H,16,20)(H,18,19)
InChIKeyCTBHTODNCREWLW-UHFFFAOYSA-N
XLogP2.56
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(2-chloro-5-methylsulfanylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848323
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid (CID 106500317) is 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(O)ccc2Cl)CCCC1.
What is the InChIKey of 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid?
The InChIKey is CTBHTODNCREWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-4-3-9(17)7-10(11)13(20)16-14(8-12(18)19)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid has a molecular weight of 297.74 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 106500317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).