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

C17H19FN2O — CID 81351725

IUPACN-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(14-7-9-16(18)10-8-14)19-11-15-5-3-4-6-17(15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyGJUDRVKSGAMNCY-LBPRGKRZSA-N
MW286.35 g/mol
LogP3.63
Rot. Bonds5

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

N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide (PubChem CID 81351725) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide
PubChem CID81351725
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(14-7-9-16(18)10-8-14)19-11-15-5-3-4-6-17(15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyGJUDRVKSGAMNCY-LBPRGKRZSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
CID 66386038
N-[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 66417848
N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81369235
N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide
CID 106282108
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetic acid
CID 103257154
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide
CID 82710042
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide (CID 81351725) is N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CN[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide?
The InChIKey is GJUDRVKSGAMNCY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(14-7-9-16(18)10-8-14)19-11-15-5-3-4-6-17(15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide?
N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 81351725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).