2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide

C20H25FN2O — CID 4883719

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-16(8-9-17-6-4-3-5-7-17)22-20(24)15-23(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,24)
InChIKeyJWIVKVKWVXWVQF-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.39
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4883719) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4883719
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-16(8-9-17-6-4-3-5-7-17)22-20(24)15-23(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,24)
InChIKeyJWIVKVKWVXWVQF-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide (CID 4883719) is 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is JWIVKVKWVXWVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-16(8-9-17-6-4-3-5-7-17)22-20(24)15-23(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 328.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4883719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).