(2-amino-4-bromophenyl)-cyclopentylmethanone

C12H14BrNO — CID 116591688

IUPAC(2-amino-4-bromophenyl)-cyclopentylmethanone
SMILESNc1cc(Br)ccc1C(=O)C1CCCC1
InChIInChI=1S/C12H14BrNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeySVPBGBNSNOXCKC-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.40
Rot. Bonds2

About (2-amino-4-bromophenyl)-cyclopentylmethanone

(2-amino-4-bromophenyl)-cyclopentylmethanone (PubChem CID 116591688) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-cyclopentylmethanone
PubChem CID116591688
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(2-amino-4-bromophenyl)-cyclopentylmethanone
SMILESNc1cc(Br)ccc1C(=O)C1CCCC1
InChIInChI=1S/C12H14BrNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeySVPBGBNSNOXCKC-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
(2-amino-5-bromo-3-pyridinyl)-cyclopentylmethanone
CID 59699866
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
1-(2-amino-4-bromobenzoyl)piperidine-4-carboxylic acid
CID 79722642
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-cyclopentylmethanone?
The IUPAC name of (2-amino-4-bromophenyl)-cyclopentylmethanone (CID 116591688) is (2-amino-4-bromophenyl)-cyclopentylmethanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-cyclopentylmethanone?
The canonical SMILES for (2-amino-4-bromophenyl)-cyclopentylmethanone is Nc1cc(Br)ccc1C(=O)C1CCCC1.
What is the InChIKey of (2-amino-4-bromophenyl)-cyclopentylmethanone?
The InChIKey is SVPBGBNSNOXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2.
What are the key properties of (2-amino-4-bromophenyl)-cyclopentylmethanone?
(2-amino-4-bromophenyl)-cyclopentylmethanone has a molecular weight of 268.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-cyclopentylmethanone is sourced from PubChem (CID 116591688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).