N-(1-adamantyl)-2-chlorobenzamide

C17H20ClNO — CID 5176829

IUPACN-(1-adamantyl)-2-chlorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c18-15-4-2-1-3-14(15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyPMMNGVLZSPPURC-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.04
Rot. Bonds2

About N-(1-adamantyl)-2-chlorobenzamide

N-(1-adamantyl)-2-chlorobenzamide (PubChem CID 5176829) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(1-adamantyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-chlorobenzamide
PubChem CID5176829
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-(1-adamantyl)-2-chlorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c18-15-4-2-1-3-14(15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyPMMNGVLZSPPURC-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-chlorobenzamide?
The IUPAC name of N-(1-adamantyl)-2-chlorobenzamide (CID 5176829) is N-(1-adamantyl)-2-chlorobenzamide.
What is the SMILES notation for N-(1-adamantyl)-2-chlorobenzamide?
The canonical SMILES for N-(1-adamantyl)-2-chlorobenzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl.
What is the InChIKey of N-(1-adamantyl)-2-chlorobenzamide?
The InChIKey is PMMNGVLZSPPURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-15-4-2-1-3-14(15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-2-chlorobenzamide?
N-(1-adamantyl)-2-chlorobenzamide has a molecular weight of 289.81 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-chlorobenzamide is sourced from PubChem (CID 5176829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).