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

C20H22ClNO5 — CID 69405879

IUPAC2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)c1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C20H22ClNO5/c1-12(14-4-7-16(8-5-14)27-13(2)20(24)25)11-22-19(23)17-10-15(21)6-9-18(17)26-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyVWMAQGACOUUFNZ-UHFFFAOYSA-N
MW391.85 g/mol
LogP3.73
Rot. Bonds8

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

2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid (PubChem CID 69405879) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid
PubChem CID69405879
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)c1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C20H22ClNO5/c1-12(14-4-7-16(8-5-14)27-13(2)20(24)25)11-22-19(23)17-10-15(21)6-9-18(17)26-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyVWMAQGACOUUFNZ-UHFFFAOYSA-N
XLogP3.73
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 53.73
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]pentanoic acid
CID 69406161
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid
CID 24752318
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
(2S)-2-[4-chloro-2-[3-fluoro-4-(2-methylpropylcarbamoyl)phenyl]phenoxy]propanoic acid
CID 11646867
4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid (CID 69405879) is 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid is COc1ccc(Cl)cc1C(=O)NCC(C)c1ccc(OC(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid?
The InChIKey is VWMAQGACOUUFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-12(14-4-7-16(8-5-14)27-13(2)20(24)25)11-22-19(23)17-10-15(21)6-9-18(17)26-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid?
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid has a molecular weight of 391.85 g/mol, XLogP of 3.73, 8 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]propanoic acid is sourced from PubChem (CID 69405879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).