N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide

C20H24FNO — CID 110445495

IUPACN-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H24FNO/c21-17-3-1-16(2-4-17)20(5-6-20)22-19(23)18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18H,5-11H2,(H,22,23)
InChIKeyJXAIOBXKLYAHHJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.00
Rot. Bonds3

About N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide

N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide (PubChem CID 110445495) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide
PubChem CID110445495
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H24FNO/c21-17-3-1-16(2-4-17)20(5-6-20)22-19(23)18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18H,5-11H2,(H,22,23)
InChIKeyJXAIOBXKLYAHHJ-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide, N-1-adamantyl-
CID 29392
N-(1-adamantyl)-4-phenylbutanamide
CID 2907426
2-(1-adamantyl)-N-(4-fluorobenzyl)acetamide
CID 2850229
2-[2-(4-Fluorophenyl)-2-adamantyl]acetamide
CID 59336934
N-adamantanyl[4-(trifluoromethyl)phenyl]carboxamide
CID 8151641
N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide
CID 4878769
N-(1-adamantyl)-2,3,4,5-tetrafluorobenzamide
CID 3269571
N-(1-adamantyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 24286037
N-(2-fluorobenzyl)-1-adamantanecarboxamide
CID 4123767
N-1-adamantyl-4-fluorobenzamide
CID 2834614
N-(1-adamantyl)-2,2-diphenylacetamide
CID 4329086
N-(1-adamantyl)-2-phenylbutanamide
CID 2886576

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide (CID 110445495) is N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide is O=C(NC1(c2ccc(F)cc2)CC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide?
The InChIKey is JXAIOBXKLYAHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c21-17-3-1-16(2-4-17)20(5-6-20)22-19(23)18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18H,5-11H2,(H,22,23).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide?
N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide is sourced from PubChem (CID 110445495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).