N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

C16H16BrFN2O — CID 18086074

IUPACN-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C16H16BrFN2O/c1-11(12-6-2-4-8-14(12)18)19-10-16(21)20-15-9-5-3-7-13(15)17/h2-9,11,19H,10H2,1H3,(H,20,21)
InChIKeySAABIZOTNMEZRF-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.88
Rot. Bonds5

About N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 18086074) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
PubChem CID18086074
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C16H16BrFN2O/c1-11(12-6-2-4-8-14(12)18)19-10-16(21)20-15-9-5-3-7-13(15)17/h2-9,11,19H,10H2,1H3,(H,20,21)
InChIKeySAABIZOTNMEZRF-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086100
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086016
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-(2,4-dichlorophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086055
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 81378359
N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 61474369
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
CID 60673244
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (CID 18086074) is N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is CC(NCC(=O)Nc1ccccc1Br)c1ccccc1F.
What is the InChIKey of N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is SAABIZOTNMEZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-11(12-6-2-4-8-14(12)18)19-10-16(21)20-15-9-5-3-7-13(15)17/h2-9,11,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 18086074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).