2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

C11H14F2N2O2 — CID 60672445

IUPAC2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESNCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H14F2N2O2/c12-11(13)17-9-3-1-8(2-4-9)5-6-15-10(16)7-14/h1-4,11H,5-7,14H2,(H,15,16)
InChIKeyHQVCTJABGWHDAU-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.91
Rot. Bonds6

About 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 60672445) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID60672445
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESNCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H14F2N2O2/c12-11(13)17-9-3-1-8(2-4-9)5-6-15-10(16)7-14/h1-4,11H,5-7,14H2,(H,15,16)
InChIKeyHQVCTJABGWHDAU-UHFFFAOYSA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
4-O-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015453
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 8578327
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (CID 60672445) is 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is NCC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is HQVCTJABGWHDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-11(13)17-9-3-1-8(2-4-9)5-6-15-10(16)7-14/h1-4,11H,5-7,14H2,(H,15,16).
What are the key properties of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 244.24 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 60672445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).