N-[(1R,2R)-2-bromocyclopentyl]benzamide

C12H14BrNO — CID 135010678

IUPACN-[(1R,2R)-2-bromocyclopentyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@H]1Br)c1ccccc1
InChIInChI=1S/C12H14BrNO/c13-10-7-4-8-11(10)14-12(15)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)/t10-,11-/m1/s1
InChIKeySPELUOPTSFCLMZ-GHMZBOCLSA-N
MW268.15 g/mol
LogP2.73
Rot. Bonds2

About N-[(1R,2R)-2-bromocyclopentyl]benzamide

N-[(1R,2R)-2-bromocyclopentyl]benzamide (PubChem CID 135010678) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[(1R,2R)-2-bromocyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-bromocyclopentyl]benzamide
PubChem CID135010678
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[(1R,2R)-2-bromocyclopentyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@H]1Br)c1ccccc1
InChIInChI=1S/C12H14BrNO/c13-10-7-4-8-11(10)14-12(15)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)/t10-,11-/m1/s1
InChIKeySPELUOPTSFCLMZ-GHMZBOCLSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R,2R)-2-bromocyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
CID 80661828
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-(2-bromocyclohexyl)-4-cyanobenzamide
CID 114311872
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-bromocyclopentyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-bromocyclopentyl]benzamide (CID 135010678) is N-[(1R,2R)-2-bromocyclopentyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-bromocyclopentyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-bromocyclopentyl]benzamide is O=C(N[C@@H]1CCC[C@H]1Br)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-bromocyclopentyl]benzamide?
The InChIKey is SPELUOPTSFCLMZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-10-7-4-8-11(10)14-12(15)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-bromocyclopentyl]benzamide?
N-[(1R,2R)-2-bromocyclopentyl]benzamide has a molecular weight of 268.15 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-bromocyclopentyl]benzamide is sourced from PubChem (CID 135010678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).