N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide

C14H20F2N2O — CID 68619900

IUPACN-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESNC12CC3CC(C1)CC(NC(=O)C1CC1(F)F)(C3)C2
InChIInChI=1S/C14H20F2N2O/c15-14(16)6-10(14)11(19)18-13-4-8-1-9(5-13)3-12(17,2-8)7-13/h8-10H,1-7,17H2,(H,18,19)
InChIKeyRRYWOSLSPMDMTN-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.81
Rot. Bonds2

About N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide

N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 68619900) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide
PubChem CID68619900
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESNC12CC3CC(C1)CC(NC(=O)C1CC1(F)F)(C3)C2
InChIInChI=1S/C14H20F2N2O/c15-14(16)6-10(14)11(19)18-13-4-8-1-9(5-13)3-12(17,2-8)7-13/h8-10H,1-7,17H2,(H,18,19)
InChIKeyRRYWOSLSPMDMTN-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-1-adamantyl)benzamide
CID 67481027
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67480762
(1R)-2,2-difluorocyclopropane-1-carbohydrazide
CID 134522612
N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide
CID 67481788
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
3-aminoadamantane-1-carboxamide
CID 67083536
methyl (5R,7R)-3-aminoadamantane-1-carboxylate
CID 23309146
2-[(3-amino-1-adamantyl)amino]-2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde
CID 87891885
N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide
CID 175969711
2-[(5R,7R)-3-amino-1-adamantyl]acetic acid
CID 6939156
N-[(5S,7R)-3-amino-1-adamantyl]-4-pyridin-2-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175969875

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide (CID 68619900) is N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide is NC12CC3CC(C1)CC(NC(=O)C1CC1(F)F)(C3)C2.
What is the InChIKey of N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is RRYWOSLSPMDMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-14(16)6-10(14)11(19)18-13-4-8-1-9(5-13)3-12(17,2-8)7-13/h8-10H,1-7,17H2,(H,18,19).
What are the key properties of N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide?
N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 68619900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).