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

C13H16ClFN2O — CID 139576412

IUPACtrans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O/c14-10-5-1-3-8(12(10)15)7-17-13(18)9-4-2-6-11(9)16/h1,3,5,9,11H,2,4,6-7,16H2,(H,17,18)/t9-,11-/m1/s1
InChIKeyVWIJAAUFZXQAJG-MWLCHTKSSA-N
MW270.73 g/mol
LogP2.22
Rot. Bonds3

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

trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 139576412) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID139576412
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Nametrans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O/c14-10-5-1-3-8(12(10)15)7-17-13(18)9-4-2-6-11(9)16/h1,3,5,9,11H,2,4,6-7,16H2,(H,17,18)/t9-,11-/m1/s1
InChIKeyVWIJAAUFZXQAJG-MWLCHTKSSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
tert-butyl N-[(1R,2R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]cyclopentyl]carbamate
CID 139576411
2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823086
[(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol
CID 156569804
4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
CID 123841622
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 103109475
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide (CID 139576412) is trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide is N[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is VWIJAAUFZXQAJG-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-10-5-1-3-8(12(10)15)7-17-13(18)9-4-2-6-11(9)16/h1,3,5,9,11H,2,4,6-7,16H2,(H,17,18)/t9-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 139576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).