N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide

C13H14BrClFNO — CID 114147208

IUPACN-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
SMILESO=C(NCC1CCC(Br)C1)c1cccc(F)c1Cl
InChIInChI=1S/C13H14BrClFNO/c14-9-5-4-8(6-9)7-17-13(18)10-2-1-3-11(16)12(10)15/h1-3,8-9H,4-7H2,(H,17,18)
InChIKeyDDRYZFPLLBPLQK-UHFFFAOYSA-N
MW334.62 g/mol
LogP3.77
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide

N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide (PubChem CID 114147208) has the molecular formula C13H14BrClFNO and a molecular weight of 334.62 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
PubChem CID114147208
Molecular FormulaC13H14BrClFNO
Molecular Weight334.62 g/mol
Exact Mass332.99
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
SMILESO=C(NCC1CCC(Br)C1)c1cccc(F)c1Cl
InChIInChI=1S/C13H14BrClFNO/c14-9-5-4-8(6-9)7-17-13(18)10-2-1-3-11(16)12(10)15/h1-3,8-9H,4-7H2,(H,17,18)
InChIKeyDDRYZFPLLBPLQK-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'}

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Related Compounds

2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
CID 106128408
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide
CID 75494405
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
CID 106133060
N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106128298
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide (CID 114147208) is N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide is O=C(NCC1CCC(Br)C1)c1cccc(F)c1Cl.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide?
The InChIKey is DDRYZFPLLBPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFNO/c14-9-5-4-8(6-9)7-17-13(18)10-2-1-3-11(16)12(10)15/h1-3,8-9H,4-7H2,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide?
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-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-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 114147208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).