(2-aminocyclopentyl)-(3-bromophenyl)methanone

C12H14BrNO — CID 164657811

IUPAC(2-aminocyclopentyl)-(3-bromophenyl)methanone
SMILESNC1CCCC1C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c13-9-4-1-3-8(7-9)12(15)10-5-2-6-11(10)14/h1,3-4,7,10-11H,2,5-6,14H2
InChIKeyCGZZFLMHIVQCMI-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.76
Rot. Bonds2

About (2-aminocyclopentyl)-(3-bromophenyl)methanone

(2-aminocyclopentyl)-(3-bromophenyl)methanone (PubChem CID 164657811) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(3-bromophenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(3-bromophenyl)methanone
PubChem CID164657811
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(2-aminocyclopentyl)-(3-bromophenyl)methanone
SMILESNC1CCCC1C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c13-9-4-1-3-8(7-9)12(15)10-5-2-6-11(10)14/h1,3-4,7,10-11H,2,5-6,14H2
InChIKeyCGZZFLMHIVQCMI-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclopentyl)-naphthalen-2-ylmethanone
CID 116580184
2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376546
(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116579967
azetidin-2-yl-(3-bromophenyl)methanone
CID 84701782
(2-aminocyclopentyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 116580186
(1-aminocyclopentyl)-(3-bromophenyl)methanone
CID 82305026
(3-bromophenyl)-(oxiran-2-yl)methanone
CID 116826508
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
(3-bromophenyl)-(oxan-4-yl)methanone
CID 63934842
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(3-bromophenyl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(3-bromophenyl)methanone (CID 164657811) is (2-aminocyclopentyl)-(3-bromophenyl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(3-bromophenyl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(3-bromophenyl)methanone is NC1CCCC1C(=O)c1cccc(Br)c1.
What is the InChIKey of (2-aminocyclopentyl)-(3-bromophenyl)methanone?
The InChIKey is CGZZFLMHIVQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-9-4-1-3-8(7-9)12(15)10-5-2-6-11(10)14/h1,3-4,7,10-11H,2,5-6,14H2.
What are the key properties of (2-aminocyclopentyl)-(3-bromophenyl)methanone?
(2-aminocyclopentyl)-(3-bromophenyl)methanone has a molecular weight of 268.15 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(3-bromophenyl)methanone is sourced from PubChem (CID 164657811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).