adamantane-1-carboxylic acid;benzamide

C18H23NO3 — CID 175381809

IUPACadamantane-1-carboxylic acid;benzamide
SMILESNC(=O)c1ccccc1.O=C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16O2.C7H7NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;8-7(9)6-4-2-1-3-5-6/h7-9H,1-6H2,(H,12,13);1-5H,(H2,8,9)
InChIKeyGLDNIAAEKSZIMN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds2

About adamantane-1-carboxylic acid;benzamide

adamantane-1-carboxylic acid;benzamide (PubChem CID 175381809) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is adamantane-1-carboxylic acid;benzamide.

Molecular Properties

Compound Nameadamantane-1-carboxylic acid;benzamide
PubChem CID175381809
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Nameadamantane-1-carboxylic acid;benzamide
SMILESNC(=O)c1ccccc1.O=C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16O2.C7H7NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;8-7(9)6-4-2-1-3-5-6/h7-9H,1-6H2,(H,12,13);1-5H,(H2,8,9)
InChIKeyGLDNIAAEKSZIMN-UHFFFAOYSA-N
XLogP3.07
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(adamantane-1-carboxylic acid);iodobenzene
CID 175091348
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
acetic acid;adamantane-1-carboxylic acid
CID 67530595
3-(1-adamantyl)-2-methyl-3-phenylprop-2-enoic acid
CID 68789532
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
benzamide;ethene
CID 143479548
benzamide;1,1-dichlorocyclopropane
CID 175468007
trisodium;tris([1-adamantyl(phenyl)methylidene]azanide);benzene
CID 139152158
benzamide;cyclopropanecarbonyl chloride
CID 174284217

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylic acid;benzamide?
The IUPAC name of adamantane-1-carboxylic acid;benzamide (CID 175381809) is adamantane-1-carboxylic acid;benzamide.
What is the SMILES notation for adamantane-1-carboxylic acid;benzamide?
The canonical SMILES for adamantane-1-carboxylic acid;benzamide is NC(=O)c1ccccc1.O=C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantane-1-carboxylic acid;benzamide?
The InChIKey is GLDNIAAEKSZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C7H7NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;8-7(9)6-4-2-1-3-5-6/h7-9H,1-6H2,(H,12,13);1-5H,(H2,8,9).
What are the key properties of adamantane-1-carboxylic acid;benzamide?
adamantane-1-carboxylic acid;benzamide has a molecular weight of 301.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxylic acid;benzamide is sourced from PubChem (CID 175381809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).