2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C18H21FN2O2 — CID 108997498

IUPAC2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CNCc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-23-17-9-5-3-6-14(17)10-11-21-18(22)13-20-12-15-7-2-4-8-16(15)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyNNBFVHPRVIVRMK-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.28
Rot. Bonds8

About 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 108997498) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID108997498
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CNCc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-23-17-9-5-3-6-14(17)10-11-21-18(22)13-20-12-15-7-2-4-8-16(15)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyNNBFVHPRVIVRMK-UHFFFAOYSA-N
XLogP2.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 108997498) is 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CNCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is NNBFVHPRVIVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-17-9-5-3-6-14(17)10-11-21-18(22)13-20-12-15-7-2-4-8-16(15)19/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 108997498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).