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

C13H14ClF2NO — CID 170579084

IUPACN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide
SMILESO=CNC(c1c(F)ccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C13H14ClF2NO/c14-9-5-6-10(15)11(12(9)16)13(17-7-18)8-3-1-2-4-8/h5-8,13H,1-4H2,(H,17,18)
InChIKeyUBQNHSZTRNBOAG-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.60
Rot. Bonds4

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

N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide (PubChem CID 170579084) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide.

Molecular Properties

Compound NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide
PubChem CID170579084
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide
SMILESO=CNC(c1c(F)ccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C13H14ClF2NO/c14-9-5-6-10(15)11(12(9)16)13(17-7-18)8-3-1-2-4-8/h5-8,13H,1-4H2,(H,17,18)
InChIKeyUBQNHSZTRNBOAG-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;1-hexyl-1,3-dimethylurea
CID 170580930
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide
CID 170581089
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170578853
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]-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
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
1-(3-chloro-2-fluoro-6-methylphenyl)-1-cyclopentyl-N-phenylsulfanylmethanamine
CID 170579906

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide?
The IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide (CID 170579084) is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide.
What is the SMILES notation for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide?
The canonical SMILES for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide is O=CNC(c1c(F)ccc(Cl)c1F)C1CCCC1.
What is the InChIKey of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide?
The InChIKey is UBQNHSZTRNBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c14-9-5-6-10(15)11(12(9)16)13(17-7-18)8-3-1-2-4-8/h5-8,13H,1-4H2,(H,17,18).
What are the key properties of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide?
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide has a molecular weight of 273.71 g/mol, XLogP of 3.60, 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]formamide is sourced from PubChem (CID 170579084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).