2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide

C15H16F2N2O — CID 99855980

IUPAC2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide
SMILESN#CCC(=O)N[C@@H](c1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C15H16F2N2O/c16-11-5-6-12(13(17)9-11)15(10-3-1-2-4-10)19-14(20)7-8-18/h5-6,9-10,15H,1-4,7H2,(H,19,20)/t15-/m1/s1
InChIKeyKDGQTBGBNZXJPG-OAHLLOKOSA-N
MW278.30 g/mol
LogP3.23
Rot. Bonds4

About 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide

2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide (PubChem CID 99855980) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide
PubChem CID99855980
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide
SMILESN#CCC(=O)N[C@@H](c1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C15H16F2N2O/c16-11-5-6-12(13(17)9-11)15(10-3-1-2-4-10)19-14(20)7-8-18/h5-6,9-10,15H,1-4,7H2,(H,19,20)/t15-/m1/s1
InChIKeyKDGQTBGBNZXJPG-OAHLLOKOSA-N
XLogP3.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide (CID 99855980) is 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide is N#CCC(=O)N[C@@H](c1ccc(F)cc1F)C1CCCC1.
What is the InChIKey of 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide?
The InChIKey is KDGQTBGBNZXJPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-11-5-6-12(13(17)9-11)15(10-3-1-2-4-10)19-14(20)7-8-18/h5-6,9-10,15H,1-4,7H2,(H,19,20)/t15-/m1/s1.
What are the key properties of 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide?
2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide has a molecular weight of 278.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 99855980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).