N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide

C16H20ClNO2 — CID 106686283

IUPACN-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide
SMILESCN(C(=O)c1ccoc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20ClNO2/c1-18(16(19)13-2-3-20-15(13)17)14-11-5-9-4-10(7-11)8-12(14)6-9/h2-3,9-12,14H,4-8H2,1H3
InChIKeyNMUBBWNJQBATQW-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.83
Rot. Bonds2

About N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide

N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide (PubChem CID 106686283) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide
PubChem CID106686283
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide
SMILESCN(C(=O)c1ccoc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20ClNO2/c1-18(16(19)13-2-3-20-15(13)17)14-11-5-9-4-10(7-11)8-12(14)6-9/h2-3,9-12,14H,4-8H2,1H3
InChIKeyNMUBBWNJQBATQW-UHFFFAOYSA-N
XLogP3.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 106688427
2-chloro-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106688438
2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide
CID 106685400
2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
N-(2-adamantyl)-4-amino-N-methylbenzamide
CID 60945227
N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497458
N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide
CID 107518523
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide (CID 106686283) is N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide is CN(C(=O)c1ccoc1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide?
The InChIKey is NMUBBWNJQBATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-18(16(19)13-2-3-20-15(13)17)14-11-5-9-4-10(7-11)8-12(14)6-9/h2-3,9-12,14H,4-8H2,1H3.
What are the key properties of N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide?
N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106686283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).