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

C19H24ClNO — CID 3454885

IUPACN-[1-(1-adamantyl)ethyl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO/c1-12(21-18(22)16-2-4-17(20)5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)
InChIKeyZIDXGCZOAAYGIC-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.67
Rot. Bonds3

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

N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide (PubChem CID 3454885) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-chlorobenzamide
PubChem CID3454885
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO/c1-12(21-18(22)16-2-4-17(20)5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)
InChIKeyZIDXGCZOAAYGIC-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Azd-9056
CID 10161381
N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
AZD-9056 hydrochloride
CID 10161380
4-Chloro-N-phenethylbenzamide
CID 306479
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
Bibx-79
CID 501396
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Calhex 231
CID 11849514
Benzamide derivative 11
CID 41306362
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756
N-(1-adamantylmethyl)-2-chlorobenzamide
CID 2933256

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide (CID 3454885) is N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide?
The InChIKey is ZIDXGCZOAAYGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-12(21-18(22)16-2-4-17(20)5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide?
N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide has a molecular weight of 317.86 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 3454885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).