2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide

C14H19FN2O — CID 81366049

IUPAC2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCCC1N)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-9(10-4-2-5-11(15)8-10)17-14(18)12-6-3-7-13(12)16/h2,4-5,8-9,12-13H,3,6-7,16H2,1H3,(H,17,18)/t9-,12?,13?/m0/s1
InChIKeyXMKVAGOLHABMEJ-ALXWSUNGSA-N
MW250.32 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide

2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 81366049) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID81366049
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCCC1N)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-9(10-4-2-5-11(15)8-10)17-14(18)12-6-3-7-13(12)16/h2,4-5,8-9,12-13H,3,6-7,16H2,1H3,(H,17,18)/t9-,12?,13?/m0/s1
InChIKeyXMKVAGOLHABMEJ-ALXWSUNGSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921
2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823129
2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376546
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81360813
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81377637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide (CID 81366049) is 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide is C[C@H](NC(=O)C1CCCC1N)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is XMKVAGOLHABMEJ-ALXWSUNGSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(10-4-2-5-11(15)8-10)17-14(18)12-6-3-7-13(12)16/h2,4-5,8-9,12-13H,3,6-7,16H2,1H3,(H,17,18)/t9-,12?,13?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide?
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81366049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).