8-[(2-chlorobenzoyl)amino]octanoic acid

C15H20ClNO3 — CID 10780370

IUPAC8-[(2-chlorobenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19/h5-6,8-9H,1-4,7,10-11H2,(H,17,20)(H,18,19)
InChIKeyFHBUSPCAVJYATP-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.49
Rot. Bonds9

About 8-[(2-chlorobenzoyl)amino]octanoic acid

8-[(2-chlorobenzoyl)amino]octanoic acid (PubChem CID 10780370) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 8-[(2-chlorobenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-chlorobenzoyl)amino]octanoic acid
PubChem CID10780370
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name8-[(2-chlorobenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19/h5-6,8-9H,1-4,7,10-11H2,(H,17,20)(H,18,19)
InChIKeyFHBUSPCAVJYATP-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorobenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(2-chlorobenzoyl)amino]octanoic acid (CID 10780370) is 8-[(2-chlorobenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-chlorobenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-chlorobenzoyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 8-[(2-chlorobenzoyl)amino]octanoic acid?
The InChIKey is FHBUSPCAVJYATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19/h5-6,8-9H,1-4,7,10-11H2,(H,17,20)(H,18,19).
What are the key properties of 8-[(2-chlorobenzoyl)amino]octanoic acid?
8-[(2-chlorobenzoyl)amino]octanoic acid has a molecular weight of 297.78 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorobenzoyl)amino]octanoic acid is sourced from PubChem (CID 10780370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).