N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

C20H24ClN5O — CID 7350332

IUPACN-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24ClN5O/c21-17-4-2-1-3-16(17)19-23-25-26(24-19)11-18(27)22-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,27)
InChIKeyXCHHVYKIZWLADQ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.33
Rot. Bonds5

About N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7350332) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
PubChem CID7350332
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24ClN5O/c21-17-4-2-1-3-16(17)19-23-25-26(24-19)11-18(27)22-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,27)
InChIKeyXCHHVYKIZWLADQ-UHFFFAOYSA-N
XLogP3.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7350365
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8685781
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7350531
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024
N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902332
N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7335558

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (CID 7350332) is N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccccc2Cl)n1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is XCHHVYKIZWLADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-17-4-2-1-3-16(17)19-23-25-26(24-19)11-18(27)22-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,27).
What are the key properties of N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7350332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).