N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide

C13H14BrClFNO — CID 107993984

IUPACN-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H14BrClFNO/c14-8-13(5-1-2-6-13)17-12(18)9-3-4-10(15)11(16)7-9/h3-4,7H,1-2,5-6,8H2,(H,17,18)
InChIKeyPFZIUFLRZFIDPP-UHFFFAOYSA-N
MW334.62 g/mol
LogP3.92
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide

N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide (PubChem CID 107993984) has the molecular formula C13H14BrClFNO and a molecular weight of 334.62 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
PubChem CID107993984
Molecular FormulaC13H14BrClFNO
Molecular Weight334.62 g/mol
Exact Mass332.99
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H14BrClFNO/c14-8-13(5-1-2-6-13)17-12(18)9-3-4-10(15)11(16)7-9/h3-4,7H,1-2,5-6,8H2,(H,17,18)
InChIKeyPFZIUFLRZFIDPP-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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

N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
CID 82773291
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide (CID 107993984) is N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide is O=C(NC1(CBr)CCCC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide?
The InChIKey is PFZIUFLRZFIDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFNO/c14-8-13(5-1-2-6-13)17-12(18)9-3-4-10(15)11(16)7-9/h3-4,7H,1-2,5-6,8H2,(H,17,18).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide?
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide has a molecular weight of 334.62 g/mol, XLogP of 3.92, 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-3-fluorobenzamide is sourced from PubChem (CID 107993984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).