N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide

C13H14BrClFNO — CID 114179501

IUPACN-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
SMILESO=C(NC1CCCC1CBr)c1cccc(Cl)c1F
InChIInChI=1S/C13H14BrClFNO/c14-7-8-3-1-6-11(8)17-13(18)9-4-2-5-10(15)12(9)16/h2,4-5,8,11H,1,3,6-7H2,(H,17,18)
InChIKeyYXRROWGXRGCVOI-UHFFFAOYSA-N
MW334.62 g/mol
LogP3.77
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide

N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide (PubChem CID 114179501) has the molecular formula C13H14BrClFNO and a molecular weight of 334.62 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
PubChem CID114179501
Molecular FormulaC13H14BrClFNO
Molecular Weight334.62 g/mol
Exact Mass332.99
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
SMILESO=C(NC1CCCC1CBr)c1cccc(Cl)c1F
InChIInChI=1S/C13H14BrClFNO/c14-7-8-3-1-6-11(8)17-13(18)9-4-2-5-10(15)12(9)16/h2,4-5,8,11H,1,3,6-7H2,(H,17,18)
InChIKeyYXRROWGXRGCVOI-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.62
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide 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-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
CID 106367232
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[2-(bromomethyl)cyclopentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106366436
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353
N-[2-(bromomethyl)cyclohexyl]-2-chloro-6-nitrobenzamide
CID 106367266
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide (CID 114179501) is N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide is O=C(NC1CCCC1CBr)c1cccc(Cl)c1F.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide?
The InChIKey is YXRROWGXRGCVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFNO/c14-7-8-3-1-6-11(8)17-13(18)9-4-2-5-10(15)12(9)16/h2,4-5,8,11H,1,3,6-7H2,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide?
N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide has a molecular weight of 334.62 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 114179501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).