(1-aminocyclopentyl)-(3-bromophenyl)methanone

C12H14BrNO — CID 82305026

IUPAC(1-aminocyclopentyl)-(3-bromophenyl)methanone
SMILESNC1(C(=O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H14BrNO/c13-10-5-3-4-9(8-10)11(15)12(14)6-1-2-7-12/h3-5,8H,1-2,6-7,14H2
InChIKeyHURJRGMMWAMOSR-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.90
Rot. Bonds2

About (1-aminocyclopentyl)-(3-bromophenyl)methanone

(1-aminocyclopentyl)-(3-bromophenyl)methanone (PubChem CID 82305026) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(3-bromophenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(3-bromophenyl)methanone
PubChem CID82305026
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(1-aminocyclopentyl)-(3-bromophenyl)methanone
SMILESNC1(C(=O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H14BrNO/c13-10-5-3-4-9(8-10)11(15)12(14)6-1-2-7-12/h3-5,8H,1-2,6-7,14H2
InChIKeyHURJRGMMWAMOSR-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-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
(1-aminocyclopentyl)-(2-bromophenyl)methanone
CID 82305027
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
(2-aminocyclopentyl)-(3-bromophenyl)methanone
CID 164657811
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(3-bromophenyl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(3-bromophenyl)methanone (CID 82305026) is (1-aminocyclopentyl)-(3-bromophenyl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(3-bromophenyl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(3-bromophenyl)methanone is NC1(C(=O)c2cccc(Br)c2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(3-bromophenyl)methanone?
The InChIKey is HURJRGMMWAMOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-10-5-3-4-9(8-10)11(15)12(14)6-1-2-7-12/h3-5,8H,1-2,6-7,14H2.
What are the key properties of (1-aminocyclopentyl)-(3-bromophenyl)methanone?
(1-aminocyclopentyl)-(3-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)-(3-bromophenyl)methanone is sourced from PubChem (CID 82305026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).