N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide

C13H13BrClF2NO — CID 82773291

IUPACN-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13BrClF2NO/c14-7-13(3-1-2-4-13)18-12(19)8-5-11(17)9(15)6-10(8)16/h5-6H,1-4,7H2,(H,18,19)
InChIKeyREUDINSVFOITPO-UHFFFAOYSA-N
MW352.61 g/mol
LogP4.06
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide

N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide (PubChem CID 82773291) has the molecular formula C13H13BrClF2NO and a molecular weight of 352.61 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
PubChem CID82773291
Molecular FormulaC13H13BrClF2NO
Molecular Weight352.61 g/mol
Exact Mass350.98
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13BrClF2NO/c14-7-13(3-1-2-4-13)18-12(19)8-5-11(17)9(15)6-10(8)16/h5-6H,1-4,7H2,(H,18,19)
InChIKeyREUDINSVFOITPO-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
CID 107677747
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-(1-carbamothioylcyclohexyl)-4-chloro-2,5-difluorobenzamide
CID 82772161
2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764766
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide (CID 82773291) is N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide is O=C(NC1(CBr)CCCC1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide?
The InChIKey is REUDINSVFOITPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClF2NO/c14-7-13(3-1-2-4-13)18-12(19)8-5-11(17)9(15)6-10(8)16/h5-6H,1-4,7H2,(H,18,19).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide?
N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide has a molecular weight of 352.61 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82773291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).