N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide

C13H15BrFNO — CID 115456399

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2(CBr)CC2)c1
InChIInChI=1S/C13H15BrFNO/c1-9-2-3-11(15)10(6-9)12(17)16-8-13(7-14)4-5-13/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyICJFZIVJGHSUGR-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.04
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide (PubChem CID 115456399) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
PubChem CID115456399
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2(CBr)CC2)c1
InChIInChI=1S/C13H15BrFNO/c1-9-2-3-11(15)10(6-9)12(17)16-8-13(7-14)4-5-13/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyICJFZIVJGHSUGR-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide 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-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 115456406
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835
2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
CID 71989711
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107299419
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide (CID 115456399) is N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCC2(CBr)CC2)c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide?
The InChIKey is ICJFZIVJGHSUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-9-2-3-11(15)10(6-9)12(17)16-8-13(7-14)4-5-13/h2-3,6H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 115456399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).