N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide

C13H15BrN2O4 — CID 104783556

IUPACN-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC2CCCC2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15BrN2O4/c1-20-12-7-8(5-6-11(12)16(18)19)13(17)15-10-4-2-3-9(10)14/h5-7,9-10H,2-4H2,1H3,(H,15,17)
InChIKeyZCKPRTHTYZUQEV-UHFFFAOYSA-N
MW343.18 g/mol
LogP2.65
Rot. Bonds4

About N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide

N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide (PubChem CID 104783556) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide
PubChem CID104783556
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC NameN-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC2CCCC2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15BrN2O4/c1-20-12-7-8(5-6-11(12)16(18)19)13(17)15-10-4-2-3-9(10)14/h5-7,9-10H,2-4H2,1H3,(H,15,17)
InChIKeyZCKPRTHTYZUQEV-UHFFFAOYSA-N
XLogP2.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide 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-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide
CID 104783797
cis-(1R,2S)-2-[(3-methoxy-4-nitrobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 97234210
N-(azepan-4-yl)-3-methoxy-4-nitrobenzamide
CID 105061010
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-nitrobenzamide
CID 106128710
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide
CID 119620213
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide;hydrochloride
CID 119620212
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 80661523
2-[(3-fluoro-4-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813719

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide?
The IUPAC name of N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide (CID 104783556) is N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide is COc1cc(C(=O)NC2CCCC2Br)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide?
The InChIKey is ZCKPRTHTYZUQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c1-20-12-7-8(5-6-11(12)16(18)19)13(17)15-10-4-2-3-9(10)14/h5-7,9-10H,2-4H2,1H3,(H,15,17).
What are the key properties of N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide?
N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide has a molecular weight of 343.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide is sourced from PubChem (CID 104783556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).