2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid

C22H26ClNO5 — CID 69406161

IUPAC2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(C(C)CNC(=O)c2cc(Cl)ccc2OC)cc1)C(=O)O
InChIInChI=1S/C22H26ClNO5/c1-4-5-20(22(26)27)29-17-9-6-15(7-10-17)14(2)13-24-21(25)18-12-16(23)8-11-19(18)28-3/h6-12,14,20H,4-5,13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyGDRANVDOKSAOMP-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.51
Rot. Bonds10

About 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid

2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid (PubChem CID 69406161) has the molecular formula C22H26ClNO5 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid
PubChem CID69406161
Molecular FormulaC22H26ClNO5
Molecular Weight419.91 g/mol
Exact Mass419.15
IUPAC Name2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(C(C)CNC(=O)c2cc(Cl)ccc2OC)cc1)C(=O)O
InChIInChI=1S/C22H26ClNO5/c1-4-5-20(22(26)27)29-17-9-6-15(7-10-17)14(2)13-24-21(25)18-12-16(23)8-11-19(18)28-3/h6-12,14,20H,4-5,13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyGDRANVDOKSAOMP-UHFFFAOYSA-N
XLogP4.51
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid
CID 69405879
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid
CID 24752318
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
2-(2-acetyl-4-chlorophenoxy)pentanoic acid
CID 83040836
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid?
The IUPAC name of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid (CID 69406161) is 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid.
What is the SMILES notation for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid?
The canonical SMILES for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid is CCCC(Oc1ccc(C(C)CNC(=O)c2cc(Cl)ccc2OC)cc1)C(=O)O.
What is the InChIKey of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid?
The InChIKey is GDRANVDOKSAOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO5/c1-4-5-20(22(26)27)29-17-9-6-15(7-10-17)14(2)13-24-21(25)18-12-16(23)8-11-19(18)28-3/h6-12,14,20H,4-5,13H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid?
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid has a molecular weight of 419.91 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid is sourced from PubChem (CID 69406161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).