N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide

C18H22ClF2NO — CID 170578853

IUPACN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
SMILESO=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H22ClF2NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12/h9-12,17H,1-8H2,(H,22,23)
InChIKeyKXKZEAOJBYAIAJ-UHFFFAOYSA-N
MW341.83 g/mol
LogP5.16
Rot. Bonds4

About N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide

N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide (PubChem CID 170578853) has the molecular formula C18H22ClF2NO and a molecular weight of 341.83 g/mol. Its IUPAC name is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
PubChem CID170578853
Molecular FormulaC18H22ClF2NO
Molecular Weight341.83 g/mol
Exact Mass341.14
IUPAC NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
SMILESO=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H22ClF2NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12/h9-12,17H,1-8H2,(H,22,23)
InChIKeyKXKZEAOJBYAIAJ-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.83
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile
CID 170580331
acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170580687
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-2-oxo-1-azaspiro[3.3]heptane-6-carboxamide
CID 170578816
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide
CID 170579084
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-3-(ethylcarbamoylamino)-2-methylpropanamide
CID 170579094
tert-butyl N-[(2S,3S)-1-[[(S)-(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 170579961
(5R,7R,9R)-N-[(R)-(3-chloro-6-fluoro-2-methylphenyl)-cyclopentylmethyl]-9-methyl-4-oxo-1,3-diazaspiro[4.4]nonane-7-carboxamide
CID 170580812
N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 170580433
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide
CID 170581089
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;1-hexyl-1,3-dimethylurea
CID 170580930
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide (CID 170578853) is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide is O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1.
What is the InChIKey of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
The InChIKey is KXKZEAOJBYAIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF2NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12/h9-12,17H,1-8H2,(H,22,23).
What are the key properties of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide has a molecular weight of 341.83 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide is sourced from PubChem (CID 170578853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).