N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide

C15H21Cl2NO — CID 78780282

IUPACN-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CC1(Cl)Cl
InChIInChI=1S/C15H21Cl2NO/c16-15(17)7-12(15)13(19)18-8-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12H,1-8H2,(H,18,19)
InChIKeyZRDYCVRKCKZQNN-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.51
Rot. Bonds3

About N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide

N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 78780282) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID78780282
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CC1(Cl)Cl
InChIInChI=1S/C15H21Cl2NO/c16-15(17)7-12(15)13(19)18-8-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12H,1-8H2,(H,18,19)
InChIKeyZRDYCVRKCKZQNN-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
CID 63047139
(1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide
CID 95987655
N-(1-adamantylmethyl)-2-(3-chloro-1-adamantyl)acetamide
CID 15998261
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
(2R)-N-(1-adamantylmethyl)pyrrolidine-2-carboxamide
CID 103793910
(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 42554316
1-(1-adamantylmethyl)-3-cyclopropylurea
CID 47127475
N-(1-adamantylmethyl)-4-hydroxybutanamide
CID 79205151
(1S,2S,4S,5R,6S,7R)-7-(1-adamantylmethylcarbamoyl)tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 98047471
(1S,2R,3S,4R)-3-(1-adamantylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51706353
2-(1-adamantylmethylcarbamoyloxy)ethyl-dimethylazanium
CID 3921193
(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 7929494

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide (CID 78780282) is N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)C1CC1(Cl)Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is ZRDYCVRKCKZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c16-15(17)7-12(15)13(19)18-8-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12H,1-8H2,(H,18,19).
What are the key properties of N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide?
N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 302.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 78780282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).