cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide

C15H20BrFN2O — CID 124683545

IUPACcis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C15H20BrFN2O/c1-2-19(15(20)10-3-5-13(18)8-10)9-11-7-12(16)4-6-14(11)17/h4,6-7,10,13H,2-3,5,8-9,18H2,1H3/t10-,13+/m1/s1
InChIKeyKTHLLHXFLKYUMD-MFKMUULPSA-N
MW343.24 g/mol
LogP3.06
Rot. Bonds4

About cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide (PubChem CID 124683545) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
PubChem CID124683545
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Namecis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C15H20BrFN2O/c1-2-19(15(20)10-3-5-13(18)8-10)9-11-7-12(16)4-6-14(11)17/h4,6-7,10,13H,2-3,5,8-9,18H2,1H3/t10-,13+/m1/s1
InChIKeyKTHLLHXFLKYUMD-MFKMUULPSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119764011
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686979
trans-(1R,3R)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686974
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119805667
(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide
CID 120629500
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55761312
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide (CID 124683545) is cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide?
The InChIKey is KTHLLHXFLKYUMD-MFKMUULPSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-2-19(15(20)10-3-5-13(18)8-10)9-11-7-12(16)4-6-14(11)17/h4,6-7,10,13H,2-3,5,8-9,18H2,1H3/t10-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 124683545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).