N-(1-adamantylmethyl)-3-chlorobenzamide

C18H22ClNO — CID 7067209

IUPACN-(1-adamantylmethyl)-3-chlorobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21)
InChIKeyUXWAXGPNSGZILN-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.29
Rot. Bonds3

About N-(1-adamantylmethyl)-3-chlorobenzamide

N-(1-adamantylmethyl)-3-chlorobenzamide (PubChem CID 7067209) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-chlorobenzamide
PubChem CID7067209
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-(1-adamantylmethyl)-3-chlorobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21)
InChIKeyUXWAXGPNSGZILN-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-chlorobenzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-chlorobenzamide (CID 7067209) is N-(1-adamantylmethyl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-chlorobenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-chlorobenzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-chlorobenzamide?
The InChIKey is UXWAXGPNSGZILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21).
What are the key properties of N-(1-adamantylmethyl)-3-chlorobenzamide?
N-(1-adamantylmethyl)-3-chlorobenzamide has a molecular weight of 303.83 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-chlorobenzamide is sourced from PubChem (CID 7067209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).