2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid

C19H21ClN2O5 — CID 119246476

IUPAC2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCc1cccc(OCC(=O)O)c1
InChIInChI=1S/C19H21ClN2O5/c1-26-17-6-5-14(20)10-16(17)21-8-7-18(23)22-11-13-3-2-4-15(9-13)27-12-19(24)25/h2-6,9-10,21H,7-8,11-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyZENZVYVJWMQYIW-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.93
Rot. Bonds10

About 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid

2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid (PubChem CID 119246476) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid
PubChem CID119246476
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCc1cccc(OCC(=O)O)c1
InChIInChI=1S/C19H21ClN2O5/c1-26-17-6-5-14(20)10-16(17)21-8-7-18(23)22-11-13-3-2-4-15(9-13)27-12-19(24)25/h2-6,9-10,21H,7-8,11-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyZENZVYVJWMQYIW-UHFFFAOYSA-N
XLogP2.93
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[3-(5-chloro-2-methoxyanilino)propanoylamino]phenoxy]acetate
CID 47824982
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid
CID 119367488
3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 51127338
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid (CID 119246476) is 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid is COc1ccc(Cl)cc1NCCC(=O)NCc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid?
The InChIKey is ZENZVYVJWMQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-26-17-6-5-14(20)10-16(17)21-8-7-18(23)22-11-13-3-2-4-15(9-13)27-12-19(24)25/h2-6,9-10,21H,7-8,11-12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid?
2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid has a molecular weight of 392.84 g/mol, XLogP of 2.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).