N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide

C21H25FN2O3 — CID 166211393

IUPACN-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide
SMILESCc1cc(NC(C)C(=O)Nc2ccc(F)cc2)ccc1OC1CCOCC1
InChIInChI=1S/C21H25FN2O3/c1-14-13-18(7-8-20(14)27-19-9-11-26-12-10-19)23-15(2)21(25)24-17-5-3-16(22)4-6-17/h3-8,13,15,19,23H,9-12H2,1-2H3,(H,24,25)
InChIKeyNZMWLTSLDBNHEZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.13
Rot. Bonds6

About N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide

N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide (PubChem CID 166211393) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide
PubChem CID166211393
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide
SMILESCc1cc(NC(C)C(=O)Nc2ccc(F)cc2)ccc1OC1CCOCC1
InChIInChI=1S/C21H25FN2O3/c1-14-13-18(7-8-20(14)27-19-9-11-26-12-10-19)23-15(2)21(25)24-17-5-3-16(22)4-6-17/h3-8,13,15,19,23H,9-12H2,1-2H3,(H,24,25)
InChIKeyNZMWLTSLDBNHEZ-UHFFFAOYSA-N
XLogP4.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide (CID 166211393) is N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide is Cc1cc(NC(C)C(=O)Nc2ccc(F)cc2)ccc1OC1CCOCC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide?
The InChIKey is NZMWLTSLDBNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14-13-18(7-8-20(14)27-19-9-11-26-12-10-19)23-15(2)21(25)24-17-5-3-16(22)4-6-17/h3-8,13,15,19,23H,9-12H2,1-2H3,(H,24,25).
What are the key properties of N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide?
N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide has a molecular weight of 372.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-methyl-4-(oxan-4-yloxy)anilino]propanamide is sourced from PubChem (CID 166211393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).