N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride

C17H23ClN2O — CID 119422484

IUPACN-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O.ClH/c18-14-3-1-2-4-15(14)19-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10;/h1-4,10-13,16H,5-9,18H2,(H,19,20);1H
InChIKeySTDHTLCVGSHJPK-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.70
Rot. Bonds2

About N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride

N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride (PubChem CID 119422484) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
PubChem CID119422484
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O.ClH/c18-14-3-1-2-4-15(14)19-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10;/h1-4,10-13,16H,5-9,18H2,(H,19,20);1H
InChIKeySTDHTLCVGSHJPK-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
CID 107697676
N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride
CID 119618672
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
CID 78915665
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
CID 167868250
N-(1-benzothiophen-2-yl)adamantane-2-carboxamide
CID 151004349
N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119422541
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
5-[(2-aminophenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426835
(4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
CID 11079170
N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide
CID 81098384

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride (CID 119422484) is N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride is Cl.Nc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride?
The InChIKey is STDHTLCVGSHJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c18-14-3-1-2-4-15(14)19-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10;/h1-4,10-13,16H,5-9,18H2,(H,19,20);1H.
What are the key properties of N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride?
N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119422484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).