N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide

C17H20ClNO2 — CID 11232014

IUPACN-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide
SMILESO=C(N(O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20ClNO2/c18-14-1-3-15(4-2-14)19(21)16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,21H,5-10H2
InChIKeyGIPNZHMJOYDXME-UHFFFAOYSA-N
MW305.80 g/mol
LogP4.28
Rot. Bonds2

About N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide

N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide (PubChem CID 11232014) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide
PubChem CID11232014
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC NameN-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide
SMILESO=C(N(O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20ClNO2/c18-14-1-3-15(4-2-14)19(21)16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,21H,5-10H2
InChIKeyGIPNZHMJOYDXME-UHFFFAOYSA-N
XLogP4.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(adamantan-1-yl)-N-(4-chlorophenyl)acetamide
CID 2741121
N-(4-chlorophenyl)-N-hydroxy-cyclohexanecarboxamide
CID 5274423
N-(4-chlorophenyl)-2-cyclohexyl-N-hydroxy-acetamide
CID 5274424
Cyclohexanepropanamide, N-(4-chlorophenyl)-N-hydroxy-
CID 5274425
N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide
CID 11300134
adamantanyl-N-(3,4-dichlorophenyl)carboxamide
CID 2838902
Adamantanyl 4-(4-chlorophenyl)piperazinyl ketone
CID 4362925
N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide
CID 2805265
N-(3-chloro-4-fluorophenyl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
CID 2960483
1-Adamantanecarboxamide, N-(3-chlorophenyl)-
CID 532252
1-(1-Adamantylcarbonyl)-4-(2-chlorophenyl)piperazine
CID 2955988

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide (CID 11232014) is N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide is O=C(N(O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide?
The InChIKey is GIPNZHMJOYDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-14-1-3-15(4-2-14)19(21)16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,21H,5-10H2.
What are the key properties of N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide?
N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide has a molecular weight of 305.80 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 11232014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).