2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide

C16H16BrFN2O — CID 81378359

IUPAC2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H16BrFN2O/c1-11(14-4-2-3-5-15(14)17)19-10-16(21)20-13-8-6-12(18)7-9-13/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyVIEJKGGYNCIAEQ-NSHDSACASA-N
MW351.22 g/mol
LogP3.88
Rot. Bonds5

About 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide

2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 81378359) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID81378359
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H16BrFN2O/c1-11(14-4-2-3-5-15(14)17)19-10-16(21)20-13-8-6-12(18)7-9-13/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyVIEJKGGYNCIAEQ-NSHDSACASA-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

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42914150
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086074
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide (CID 81378359) is 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide is C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is VIEJKGGYNCIAEQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-11(14-4-2-3-5-15(14)17)19-10-16(21)20-13-8-6-12(18)7-9-13/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)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 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 81378359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).