N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C18H14ClF5N2O2 — CID 4677515

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H14ClF5N2O2/c19-11-7-9(1-2-12(11)26-3-5-28-6-4-26)25-13(27)8-10-14(20)16(22)18(24)17(23)15(10)21/h1-2,7H,3-6,8H2,(H,25,27)
InChIKeySIYBPFIEYQRFRF-UHFFFAOYSA-N
MW420.77 g/mol
LogP4.05
Rot. Bonds4

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 4677515) has the molecular formula C18H14ClF5N2O2 and a molecular weight of 420.77 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID4677515
Molecular FormulaC18H14ClF5N2O2
Molecular Weight420.77 g/mol
Exact Mass420.07
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H14ClF5N2O2/c19-11-7-9(1-2-12(11)26-3-5-28-6-4-26)25-13(27)8-10-14(20)16(22)18(24)17(23)15(10)21/h1-2,7H,3-6,8H2,(H,25,27)
InChIKeySIYBPFIEYQRFRF-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 823754
2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4831172
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 3863811
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 4677515) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is SIYBPFIEYQRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF5N2O2/c19-11-7-9(1-2-12(11)26-3-5-28-6-4-26)25-13(27)8-10-14(20)16(22)18(24)17(23)15(10)21/h1-2,7H,3-6,8H2,(H,25,27).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 420.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 4677515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).