4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide

C14H17BrN2O — CID 81397672

IUPAC4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide
SMILESC[C@@H](NC(=O)C1C=CC(N)C1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-9(12-4-2-3-5-13(12)15)17-14(18)10-6-7-11(16)8-10/h2-7,9-11H,8,16H2,1H3,(H,17,18)/t9-,10?,11?/m1/s1
InChIKeyFKIGLLCLENHIFA-KPPDAEKUSA-N
MW309.21 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 81397672) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide
PubChem CID81397672
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide
SMILESC[C@@H](NC(=O)C1C=CC(N)C1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-9(12-4-2-3-5-13(12)15)17-14(18)10-6-7-11(16)8-10/h2-7,9-11H,8,16H2,1H3,(H,17,18)/t9-,10?,11?/m1/s1
InChIKeyFKIGLLCLENHIFA-KPPDAEKUSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide (CID 81397672) is 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide is C[C@@H](NC(=O)C1C=CC(N)C1)c1ccccc1Br.
What is the InChIKey of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is FKIGLLCLENHIFA-KPPDAEKUSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-9(12-4-2-3-5-13(12)15)17-14(18)10-6-7-11(16)8-10/h2-7,9-11H,8,16H2,1H3,(H,17,18)/t9-,10?,11?/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 309.21 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 81397672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).