N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide

C14H16BrClFNO — CID 113276186

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
SMILESO=C(NCC1CCCC1CBr)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16BrClFNO/c15-7-9-2-1-3-10(9)8-18-14(19)12-6-11(16)4-5-13(12)17/h4-6,9-10H,1-3,7-8H2,(H,18,19)
InChIKeySZCSULOAPIFCAF-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.02
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide (PubChem CID 113276186) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
PubChem CID113276186
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
SMILESO=C(NCC1CCCC1CBr)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16BrClFNO/c15-7-9-2-1-3-10(9)8-18-14(19)12-6-11(16)4-5-13(12)17/h4-6,9-10H,1-3,7-8H2,(H,18,19)
InChIKeySZCSULOAPIFCAF-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.02
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]methyl]-5-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

5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 114027684
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
5-chloro-2-fluoro-N-(thian-2-ylmethyl)benzamide
CID 80599963
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide (CID 113276186) is N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide is O=C(NCC1CCCC1CBr)c1cc(Cl)ccc1F.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide?
The InChIKey is SZCSULOAPIFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-7-9-2-1-3-10(9)8-18-14(19)12-6-11(16)4-5-13(12)17/h4-6,9-10H,1-3,7-8H2,(H,18,19).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide has a molecular weight of 348.64 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 113276186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).