[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

C25H22Cl2N2O4 — CID 2085818

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C25H22Cl2N2O4/c1-3-29-21-7-5-4-6-18(21)19-13-17(9-10-22(19)29)28-24(30)14-32-25(31)15(2)33-23-11-8-16(26)12-20(23)27/h4-13,15H,3,14H2,1-2H3,(H,28,30)/t15-/m1/s1
InChIKeyDWWDYFWUWNEJTL-OAHLLOKOSA-N
MW485.37 g/mol
LogP6.07
Rot. Bonds7

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 2085818) has the molecular formula C25H22Cl2N2O4 and a molecular weight of 485.37 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID2085818
Molecular FormulaC25H22Cl2N2O4
Molecular Weight485.37 g/mol
Exact Mass484.10
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C25H22Cl2N2O4/c1-3-29-21-7-5-4-6-18(21)19-13-17(9-10-22(19)29)28-24(30)14-32-25(31)15(2)33-23-11-8-16(26)12-20(23)27/h4-13,15H,3,14H2,1-2H3,(H,28,30)/t15-/m1/s1
InChIKeyDWWDYFWUWNEJTL-OAHLLOKOSA-N
XLogP6.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
[2-(3,4-difluoroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872964
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 2386650
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872831
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862601
[2-(3-methylsulfanylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7873004
[2-(3-nitroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862700
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872971
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 2085818) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is DWWDYFWUWNEJTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H22Cl2N2O4/c1-3-29-21-7-5-4-6-18(21)19-13-17(9-10-22(19)29)28-24(30)14-32-25(31)15(2)33-23-11-8-16(26)12-20(23)27/h4-13,15H,3,14H2,1-2H3,(H,28,30)/t15-/m1/s1.
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 485.37 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 2085818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).