(1-aminocyclopentyl)-(2-bromophenyl)methanone

C12H14BrNO — CID 82305027

IUPAC(1-aminocyclopentyl)-(2-bromophenyl)methanone
SMILESNC1(C(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H14BrNO/c13-10-6-2-1-5-9(10)11(15)12(14)7-3-4-8-12/h1-2,5-6H,3-4,7-8,14H2
InChIKeyACYXSNMZFGZYQN-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.90
Rot. Bonds2

About (1-aminocyclopentyl)-(2-bromophenyl)methanone

(1-aminocyclopentyl)-(2-bromophenyl)methanone (PubChem CID 82305027) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(2-bromophenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(2-bromophenyl)methanone
PubChem CID82305027
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(1-aminocyclopentyl)-(2-bromophenyl)methanone
SMILESNC1(C(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H14BrNO/c13-10-6-2-1-5-9(10)11(15)12(14)7-3-4-8-12/h1-2,5-6H,3-4,7-8,14H2
InChIKeyACYXSNMZFGZYQN-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-(2-hydroxyphenyl)methanone
CID 105436807
(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
CID 116558705
(1-aminocyclopropyl)-(2-chlorophenyl)methanone
CID 116576455
(1-aminocyclopentyl)-(3-bromophenyl)methanone
CID 82305026
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone
CID 155973420
2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid
CID 68655079
(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
CID 116598621
(1-aminocyclopentyl)-pyridin-2-ylmethanone
CID 82281287
(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512
(1-aminocyclohexyl)-quinolin-5-ylmethanone
CID 116550567

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(2-bromophenyl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(2-bromophenyl)methanone (CID 82305027) is (1-aminocyclopentyl)-(2-bromophenyl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(2-bromophenyl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(2-bromophenyl)methanone is NC1(C(=O)c2ccccc2Br)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(2-bromophenyl)methanone?
The InChIKey is ACYXSNMZFGZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-10-6-2-1-5-9(10)11(15)12(14)7-3-4-8-12/h1-2,5-6H,3-4,7-8,14H2.
What are the key properties of (1-aminocyclopentyl)-(2-bromophenyl)methanone?
(1-aminocyclopentyl)-(2-bromophenyl)methanone has a molecular weight of 268.15 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(2-bromophenyl)methanone is sourced from PubChem (CID 82305027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).