2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide

C17H18Cl2N2O3 — CID 95175805

IUPAC2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)NCc1ccco1
InChIInChI=1S/C17H18Cl2N2O3/c18-14-4-3-12(8-15(14)19)16-10-21(5-7-24-16)11-17(22)20-9-13-2-1-6-23-13/h1-4,6,8,16H,5,7,9-11H2,(H,20,22)/t16-/m1/s1
InChIKeyBBODLHQWKXGNKL-MRXNPFEDSA-N
MW369.25 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 95175805) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID95175805
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)NCc1ccco1
InChIInChI=1S/C17H18Cl2N2O3/c18-14-4-3-12(8-15(14)19)16-10-21(5-7-24-16)11-17(22)20-9-13-2-1-6-23-13/h1-4,6,8,16H,5,7,9-11H2,(H,20,22)/t16-/m1/s1
InChIKeyBBODLHQWKXGNKL-MRXNPFEDSA-N
XLogP3.28
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 55827797
N-(furan-2-ylmethyl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95137604
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 93143235
N-[(3-chlorophenyl)methyl]-2-[2-(4-chlorophenyl)morpholin-4-yl]acetamide
CID 55827928
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 95175805) is 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)NCc1ccco1.
What is the InChIKey of 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is BBODLHQWKXGNKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c18-14-4-3-12(8-15(14)19)16-10-21(5-7-24-16)11-17(22)20-9-13-2-1-6-23-13/h1-4,6,8,16H,5,7,9-11H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 369.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 95175805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).