ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide

C14H21FN2O2 — CID 145422161

IUPACethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
SMILESCC.CC(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C12H15FN2O2.C2H6/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15;1-2/h2-3,8H,4-7H2,1H3,(H,14,16);1-2H3
InChIKeyLQBDUNMDWSQHAR-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.65
Rot. Bonds2

About ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide

ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide (PubChem CID 145422161) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
PubChem CID145422161
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nameethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
SMILESCC.CC(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C12H15FN2O2.C2H6/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15;1-2/h2-3,8H,4-7H2,1H3,(H,14,16);1-2H3
InChIKeyLQBDUNMDWSQHAR-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide
CID 58789195
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 56500087
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide (CID 145422161) is ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide is CC.CC(=O)Nc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is LQBDUNMDWSQHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2.C2H6/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15;1-2/h2-3,8H,4-7H2,1H3,(H,14,16);1-2H3.
What are the key properties of ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 268.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 145422161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).