cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide

C13H14F4N2O3S — CID 163395221

IUPACcis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@]1(F)C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O3S/c14-12(6-2-5-10(12)18)11(20)19-8-3-1-4-9(7-8)23(21,22)13(15,16)17/h1,3-4,7,10H,2,5-6,18H2,(H,19,20)/t10-,12-/m1/s1
InChIKeyOLNZTNVPEGQUBU-ZYHUDNBSSA-N
MW354.33 g/mol
LogP2.14
Rot. Bonds3

About cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide

cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 163395221) has the molecular formula C13H14F4N2O3S and a molecular weight of 354.33 g/mol. Its IUPAC name is cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
PubChem CID163395221
Molecular FormulaC13H14F4N2O3S
Molecular Weight354.33 g/mol
Exact Mass354.07
IUPAC Namecis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@]1(F)C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O3S/c14-12(6-2-5-10(12)18)11(20)19-8-3-1-4-9(7-8)23(21,22)13(15,16)17/h1,3-4,7,10H,2,5-6,18H2,(H,19,20)/t10-,12-/m1/s1
InChIKeyOLNZTNVPEGQUBU-ZYHUDNBSSA-N
XLogP2.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 172782579
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
CID 163395369
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395292
2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 170310821
(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 163396164
2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765588
3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 170310866
3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 170310858
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395959
2-sulfanyl-N-[3-(trifluoromethylsulfonyl)phenyl]propanamide
CID 163591914
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide (CID 163395221) is cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide is N[C@@H]1CCC[C@]1(F)C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is OLNZTNVPEGQUBU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H14F4N2O3S/c14-12(6-2-5-10(12)18)11(20)19-8-3-1-4-9(7-8)23(21,22)13(15,16)17/h1,3-4,7,10H,2,5-6,18H2,(H,19,20)/t10-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 163395221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).