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

C15H21FN2O — CID 97033071

IUPACtrans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[C@@H]1N
InChIInChI=1S/C15H21FN2O/c1-2-18(10-11-5-3-6-12(16)9-11)15(19)13-7-4-8-14(13)17/h3,5-6,9,13-14H,2,4,7-8,10,17H2,1H3/t13-,14-/m0/s1
InChIKeyNUEOIMMWWQRSLI-KBPBESRZSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds4

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

trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 97033071) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID97033071
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Nametrans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[C@@H]1N
InChIInChI=1S/C15H21FN2O/c1-2-18(10-11-5-3-6-12(16)9-11)15(19)13-7-4-8-14(13)17/h3,5-6,9,13-14H,2,4,7-8,10,17H2,1H3/t13-,14-/m0/s1
InChIKeyNUEOIMMWWQRSLI-KBPBESRZSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 64824765
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737162
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842
N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 114428396
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide (CID 97033071) is trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide is CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is NUEOIMMWWQRSLI-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-18(10-11-5-3-6-12(16)9-11)15(19)13-7-4-8-14(13)17/h3,5-6,9,13-14H,2,4,7-8,10,17H2,1H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 97033071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).