4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid

C19H19Cl2NO4 — CID 22681654

IUPAC4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCc1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H19Cl2NO4/c20-15-3-1-2-13(10-15)12-26-17-5-4-16(21)11-14(17)8-9-22-18(23)6-7-19(24)25/h1-5,10-11H,6-9,12H2,(H,22,23)(H,24,25)
InChIKeyGZXFIWIXZKNXCR-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.10
Rot. Bonds9

About 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid

4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid (PubChem CID 22681654) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
PubChem CID22681654
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCc1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H19Cl2NO4/c20-15-3-1-2-13(10-15)12-26-17-5-4-16(21)11-14(17)8-9-22-18(23)6-7-19(24)25/h1-5,10-11H,6-9,12H2,(H,22,23)(H,24,25)
InChIKeyGZXFIWIXZKNXCR-UHFFFAOYSA-N
XLogP4.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20985430
4-[[5-chloro-2-(2-phenylethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20988918
4-[2-[3-[(4-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22680888
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903
4-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-4-oxobutanoic acid;methanol
CID 164862986
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid (CID 22681654) is 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCCc1cc(Cl)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid?
The InChIKey is GZXFIWIXZKNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c20-15-3-1-2-13(10-15)12-26-17-5-4-16(21)11-14(17)8-9-22-18(23)6-7-19(24)25/h1-5,10-11H,6-9,12H2,(H,22,23)(H,24,25).
What are the key properties of 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid?
4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid has a molecular weight of 396.27 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 22681654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).