2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide

C16H19F2NO — CID 125447217

IUPAC2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide
SMILESCc1ccc(CC2(NC(=O)C[C@@H]3CC3(F)F)CC2)cc1
InChIInChI=1S/C16H19F2NO/c1-11-2-4-12(5-3-11)9-15(6-7-15)19-14(20)8-13-10-16(13,17)18/h2-5,13H,6-10H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyKIPLZSRMMQGWIX-CYBMUJFWSA-N
MW279.33 g/mol
LogP3.23
Rot. Bonds5

About 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide

2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide (PubChem CID 125447217) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide
PubChem CID125447217
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide
SMILESCc1ccc(CC2(NC(=O)C[C@@H]3CC3(F)F)CC2)cc1
InChIInChI=1S/C16H19F2NO/c1-11-2-4-12(5-3-11)9-15(6-7-15)19-14(20)8-13-10-16(13,17)18/h2-5,13H,6-10H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyKIPLZSRMMQGWIX-CYBMUJFWSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide?
The IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide (CID 125447217) is 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide.
What is the SMILES notation for 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide?
The canonical SMILES for 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide is Cc1ccc(CC2(NC(=O)C[C@@H]3CC3(F)F)CC2)cc1.
What is the InChIKey of 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide?
The InChIKey is KIPLZSRMMQGWIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-11-2-4-12(5-3-11)9-15(6-7-15)19-14(20)8-13-10-16(13,17)18/h2-5,13H,6-10H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide?
2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide has a molecular weight of 279.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide is sourced from PubChem (CID 125447217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).