[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate

C20H19Cl2NO3 — CID 30517012

IUPAC[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H19Cl2NO3/c21-16-7-6-14(10-17(16)22)11-19(25)26-12-18(24)23-13-20(8-9-20)15-4-2-1-3-5-15/h1-7,10H,8-9,11-13H2,(H,23,24)
InChIKeyWAQJTRXSAMHPLT-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.93
Rot. Bonds7

About [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 30517012) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID30517012
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H19Cl2NO3/c21-16-7-6-14(10-17(16)22)11-19(25)26-12-18(24)23-13-20(8-9-20)15-4-2-1-3-5-15/h1-7,10H,8-9,11-13H2,(H,23,24)
InChIKeyWAQJTRXSAMHPLT-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514718
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate
CID 55526039
2-(2,4-dichlorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 42145569
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 31615561
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514803
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514782
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7432898
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514768
3-(2,3-dichlorophenyl)-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 38937319
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate (CID 30517012) is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)NCC1(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is WAQJTRXSAMHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c21-16-7-6-14(10-17(16)22)11-19(25)26-12-18(24)23-13-20(8-9-20)15-4-2-1-3-5-15/h1-7,10H,8-9,11-13H2,(H,23,24).
What are the key properties of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate?
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 392.28 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 30517012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).