2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide

C18H21FN2O — CID 108997765

IUPAC2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O/c1-13(2)15-5-9-17(10-6-15)21-18(22)12-20-11-14-3-7-16(19)8-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyRVPUNDIWQOEGPC-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.68
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 108997765) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID108997765
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O/c1-13(2)15-5-9-17(10-6-15)21-18(22)12-20-11-14-3-7-16(19)8-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyRVPUNDIWQOEGPC-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 5122377
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066841
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109003078
N-(4-fluorophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066843
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 24718593
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 108997765) is 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CNCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is RVPUNDIWQOEGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13(2)15-5-9-17(10-6-15)21-18(22)12-20-11-14-3-7-16(19)8-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 108997765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).