N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide

C21H24Cl2N2O2 — CID 10092784

IUPACN-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC1COCC(Cc2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C21H24Cl2N2O2/c22-19-7-6-16(11-20(19)23)10-18-14-27-13-17(25-18)8-9-24-21(26)12-15-4-2-1-3-5-15/h1-7,11,17-18,25H,8-10,12-14H2,(H,24,26)
InChIKeyINFIDQFSFHHWOQ-UHFFFAOYSA-N
MW407.34 g/mol
LogP3.64
Rot. Bonds7

About N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide

N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide (PubChem CID 10092784) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide
PubChem CID10092784
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC NameN-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC1COCC(Cc2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C21H24Cl2N2O2/c22-19-7-6-16(11-20(19)23)10-18-14-27-13-17(25-18)8-9-24-21(26)12-15-4-2-1-3-5-15/h1-7,11,17-18,25H,8-10,12-14H2,(H,24,26)
InChIKeyINFIDQFSFHHWOQ-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide (CID 10092784) is N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCC1COCC(Cc2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide?
The InChIKey is INFIDQFSFHHWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c22-19-7-6-16(11-20(19)23)10-18-14-27-13-17(25-18)8-9-24-21(26)12-15-4-2-1-3-5-15/h1-7,11,17-18,25H,8-10,12-14H2,(H,24,26).
What are the key properties of N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide?
N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide has a molecular weight of 407.34 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 10092784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).