7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid

C20H22ClNO5 — CID 58764462

IUPAC7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid
SMILESO=C(O)CCCCCCOc1ccc(Cl)cc1NC(=O)c1ccccc1O
InChIInChI=1S/C20H22ClNO5/c21-14-10-11-18(27-12-6-2-1-3-9-19(24)25)16(13-14)22-20(26)15-7-4-5-8-17(15)23/h4-5,7-8,10-11,13,23H,1-3,6,9,12H2,(H,22,26)(H,24,25)
InChIKeyNVDOMSBOBWBNEQ-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.71
Rot. Bonds10

About 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid

7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid (PubChem CID 58764462) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid.

Molecular Properties

Compound Name7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid
PubChem CID58764462
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid
SMILESO=C(O)CCCCCCOc1ccc(Cl)cc1NC(=O)c1ccccc1O
InChIInChI=1S/C20H22ClNO5/c21-14-10-11-18(27-12-6-2-1-3-9-19(24)25)16(13-14)22-20(26)15-7-4-5-8-17(15)23/h4-5,7-8,10-11,13,23H,1-3,6,9,12H2,(H,22,26)(H,24,25)
InChIKeyNVDOMSBOBWBNEQ-UHFFFAOYSA-N
XLogP4.71
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 60934091
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
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N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
CID 164852021
4-(2-benzoyl-4-chlorophenoxy)butanoic acid
CID 11522599
7-(2-tert-butyl-4-chlorophenoxy)heptanoic acid
CID 57447300
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
6-[2-(5-carboxypentoxy)anilino]hexanoic acid
CID 69475364
N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954394
N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381231
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832

Frequently Asked Questions

What is the IUPAC name of 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid?
The IUPAC name of 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid (CID 58764462) is 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid.
What is the SMILES notation for 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid?
The canonical SMILES for 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid is O=C(O)CCCCCCOc1ccc(Cl)cc1NC(=O)c1ccccc1O.
What is the InChIKey of 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid?
The InChIKey is NVDOMSBOBWBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c21-14-10-11-18(27-12-6-2-1-3-9-19(24)25)16(13-14)22-20(26)15-7-4-5-8-17(15)23/h4-5,7-8,10-11,13,23H,1-3,6,9,12H2,(H,22,26)(H,24,25).
What are the key properties of 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid?
7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid has a molecular weight of 391.85 g/mol, XLogP of 4.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid is sourced from PubChem (CID 58764462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).