2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide

C18H20F2N2O2 — CID 47007122

IUPAC2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1ccc(OC(F)F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-18(20)24-16-10-8-15(9-11-16)22-13-17(23)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18,22H,4,7,12-13H2,(H,21,23)
InChIKeyXTYIQYURAFKWOY-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.45
Rot. Bonds9

About 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide

2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide (PubChem CID 47007122) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
PubChem CID47007122
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1ccc(OC(F)F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-18(20)24-16-10-8-15(9-11-16)22-13-17(23)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18,22H,4,7,12-13H2,(H,21,23)
InChIKeyXTYIQYURAFKWOY-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 31669319
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
CID 54820433
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide (CID 47007122) is 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide is O=C(CNc1ccc(OC(F)F)cc1)NCCCc1ccccc1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The InChIKey is XTYIQYURAFKWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-18(20)24-16-10-8-15(9-11-16)22-13-17(23)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18,22H,4,7,12-13H2,(H,21,23).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide has a molecular weight of 334.37 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 47007122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).