N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide

C16H16BrFN2O — CID 29271657

IUPACN-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESO=C(CNCCc1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C16H16BrFN2O/c17-13-2-1-3-15(10-13)20-16(21)11-19-9-8-12-4-6-14(18)7-5-12/h1-7,10,19H,8-9,11H2,(H,20,21)
InChIKeyHNKLJJVRYZRGJR-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.36
Rot. Bonds6

About N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide

N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide (PubChem CID 29271657) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
PubChem CID29271657
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESO=C(CNCCc1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C16H16BrFN2O/c17-13-2-1-3-15(10-13)20-16(21)11-19-9-8-12-4-6-14(18)7-5-12/h1-7,10,19H,8-9,11H2,(H,20,21)
InChIKeyHNKLJJVRYZRGJR-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000450
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
CID 61300625
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
CID 106046896
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide (CID 29271657) is N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide is O=C(CNCCc1ccc(F)cc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The InChIKey is HNKLJJVRYZRGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c17-13-2-1-3-15(10-13)20-16(21)11-19-9-8-12-4-6-14(18)7-5-12/h1-7,10,19H,8-9,11H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 29271657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).