4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide

C13H12ClFN2O — CID 103876619

IUPAC4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
SMILESN#CC1CCCC1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H12ClFN2O/c14-10-5-4-8(6-11(10)15)13(18)17-12-3-1-2-9(12)7-16/h4-6,9,12H,1-3H2,(H,17,18)
InChIKeySHHPZHBLVUOUSU-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.90
Rot. Bonds2

About 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide

4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide (PubChem CID 103876619) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
PubChem CID103876619
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
SMILESN#CC1CCCC1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H12ClFN2O/c14-10-5-4-8(6-11(10)15)13(18)17-12-3-1-2-9(12)7-16/h4-6,9,12H,1-3H2,(H,17,18)
InChIKeySHHPZHBLVUOUSU-UHFFFAOYSA-N
XLogP2.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-(2-carbamothioylcyclopentyl)-4-chloro-3-fluorobenzamide
CID 107987795
N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
CID 113358590
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
CID 62962345
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251
5-chloro-N-(2-cyanocyclopentyl)-2-hydroxybenzamide
CID 62961255
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 71189210

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide?
The IUPAC name of 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide (CID 103876619) is 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide is N#CC1CCCC1NC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide?
The InChIKey is SHHPZHBLVUOUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-10-5-4-8(6-11(10)15)13(18)17-12-3-1-2-9(12)7-16/h4-6,9,12H,1-3H2,(H,17,18).
What are the key properties of 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide?
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide has a molecular weight of 266.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide is sourced from PubChem (CID 103876619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).