4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide

C13H13Cl2F2NO — CID 114146975

IUPAC4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13Cl2F2NO/c14-8-2-1-7(3-8)6-18-13(19)9-4-12(17)10(15)5-11(9)16/h4-5,7-8H,1-3,6H2,(H,18,19)
InChIKeyUKYJPAQOMWZHJB-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide

4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide (PubChem CID 114146975) has the molecular formula C13H13Cl2F2NO and a molecular weight of 308.16 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
PubChem CID114146975
Molecular FormulaC13H13Cl2F2NO
Molecular Weight308.16 g/mol
Exact Mass307.03
IUPAC Name4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13Cl2F2NO/c14-8-2-1-7(3-8)6-18-13(19)9-4-12(17)10(15)5-11(9)16/h4-5,7-8H,1-3,6H2,(H,18,19)
InChIKeyUKYJPAQOMWZHJB-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.76
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-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
CID 106126254
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004
1-(4-chloro-2,5-difluorophenyl)-2-cyclopropylethanone
CID 114974728
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide (CID 114146975) is 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide is O=C(NCC1CCC(Cl)C1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
The InChIKey is UKYJPAQOMWZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F2NO/c14-8-2-1-7(3-8)6-18-13(19)9-4-12(17)10(15)5-11(9)16/h4-5,7-8H,1-3,6H2,(H,18,19).
What are the key properties of 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide has a molecular weight of 308.16 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 114146975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).