N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide

C19H24ClNO — CID 2918721

IUPACN-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO/c20-17-3-1-16(2-4-17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyQABPVBNEZXJXFE-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide

N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide (PubChem CID 2918721) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
PubChem CID2918721
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO/c20-17-3-1-16(2-4-17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyQABPVBNEZXJXFE-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 9475167
N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
CID 18286681
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 26285211
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
CID 106852949
N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitrobenzamide
CID 5219385
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide (CID 2918721) is N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide?
The InChIKey is QABPVBNEZXJXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c20-17-3-1-16(2-4-17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide?
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide has a molecular weight of 317.86 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 2918721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).