N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide

C15H16F2N2O2 — CID 111538103

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESN#CC(NC(=O)CC1(O)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O2/c16-10-3-4-11(12(17)7-10)13(9-18)19-14(20)8-15(21)5-1-2-6-15/h3-4,7,13,21H,1-2,5-6,8H2,(H,19,20)
InChIKeyCWYLYSZCIKUQHY-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.34
Rot. Bonds4

About N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide

N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111538103) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111538103
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESN#CC(NC(=O)CC1(O)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O2/c16-10-3-4-11(12(17)7-10)13(9-18)19-14(20)8-15(21)5-1-2-6-15/h3-4,7,13,21H,1-2,5-6,8H2,(H,19,20)
InChIKeyCWYLYSZCIKUQHY-UHFFFAOYSA-N
XLogP2.34
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111459564
3-(4-bromophenyl)sulfanyl-N-[cyano-(2,4-difluorophenyl)methyl]propanamide
CID 56585363
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
CID 56536876
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyano-(2,4-difluorophenyl)methyl]propanamide
CID 56584348
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 56584375
N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538966
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111432741
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
N-[cyano-(2,4-difluorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 56584382

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111538103) is N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide is N#CC(NC(=O)CC1(O)CCCC1)c1ccc(F)cc1F.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is CWYLYSZCIKUQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-10-3-4-11(12(17)7-10)13(9-18)19-14(20)8-15(21)5-1-2-6-15/h3-4,7,13,21H,1-2,5-6,8H2,(H,19,20).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 294.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111538103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).