N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide

C14H17BrClNO — CID 113276266

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
SMILESO=C(NCC1CCCC1CBr)c1cccc(Cl)c1
InChIInChI=1S/C14H17BrClNO/c15-8-11-4-1-5-12(11)9-17-14(18)10-3-2-6-13(16)7-10/h2-3,6-7,11-12H,1,4-5,8-9H2,(H,17,18)
InChIKeyDKJBEBHCPOJUCW-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.88
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide (PubChem CID 113276266) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
PubChem CID113276266
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
SMILESO=C(NCC1CCCC1CBr)c1cccc(Cl)c1
InChIInChI=1S/C14H17BrClNO/c15-8-11-4-1-5-12(11)9-17-14(18)10-3-2-6-13(16)7-10/h2-3,6-7,11-12H,1,4-5,8-9H2,(H,17,18)
InChIKeyDKJBEBHCPOJUCW-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-cyanobenzamide
CID 114317296
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-(dimethylamino)benzamide
CID 114317430
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide
CID 113273857
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 102922809
N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
CID 114317019
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
N-[[2-(bromomethyl)cyclopentyl]methyl]-4-cyanobenzamide
CID 114317040

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide (CID 113276266) is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide is O=C(NCC1CCCC1CBr)c1cccc(Cl)c1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
The InChIKey is DKJBEBHCPOJUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-8-11-4-1-5-12(11)9-17-14(18)10-3-2-6-13(16)7-10/h2-3,6-7,11-12H,1,4-5,8-9H2,(H,17,18).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide has a molecular weight of 330.65 g/mol, XLogP of 3.88, 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]-3-chlorobenzamide is sourced from PubChem (CID 113276266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).