N-(1-adamantylmethyl)-2,4-dichlorobenzamide

C18H21Cl2NO — CID 5229632

IUPACN-(1-adamantylmethyl)-2,4-dichlorobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c19-14-1-2-15(16(20)6-14)17(22)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22)
InChIKeyHMKDYGNZZSWEJB-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.94
Rot. Bonds3

About N-(1-adamantylmethyl)-2,4-dichlorobenzamide

N-(1-adamantylmethyl)-2,4-dichlorobenzamide (PubChem CID 5229632) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,4-dichlorobenzamide
PubChem CID5229632
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC NameN-(1-adamantylmethyl)-2,4-dichlorobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c19-14-1-2-15(16(20)6-14)17(22)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22)
InChIKeyHMKDYGNZZSWEJB-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-adamantylmethyl)-2,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(1-adamantylmethyl)-2,4-dichlorobenzamide (CID 5229632) is N-(1-adamantylmethyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2,4-dichlorobenzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2,4-dichlorobenzamide?
The InChIKey is HMKDYGNZZSWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c19-14-1-2-15(16(20)6-14)17(22)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-2,4-dichlorobenzamide?
N-(1-adamantylmethyl)-2,4-dichlorobenzamide has a molecular weight of 338.28 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 5229632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).