2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid

C15H18ClNO4 — CID 64671169

IUPAC2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(Cl)cc2O)CCCCC1
InChIInChI=1S/C15H18ClNO4/c16-10-4-5-11(12(18)8-10)14(21)17-15(9-13(19)20)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7,9H2,(H,17,21)(H,19,20)
InChIKeyUJQQZEFKDFDOJG-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid

2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 64671169) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
PubChem CID64671169
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(Cl)cc2O)CCCCC1
InChIInChI=1S/C15H18ClNO4/c16-10-4-5-11(12(18)8-10)14(21)17-15(9-13(19)20)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7,9H2,(H,17,21)(H,19,20)
InChIKeyUJQQZEFKDFDOJG-UHFFFAOYSA-N
XLogP2.95
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid (CID 64671169) is 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(Cl)cc2O)CCCCC1.
What is the InChIKey of 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is UJQQZEFKDFDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-10-4-5-11(12(18)8-10)14(21)17-15(9-13(19)20)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7,9H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).