N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide

C17H20ClNO2 — CID 4849810

IUPACN-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H20ClNO2/c18-13-1-3-14(4-2-13)19-15(20)16-6-11-5-12(7-16)9-17(21,8-11)10-16/h1-4,11-12,21H,5-10H2,(H,19,20)
InChIKeyOSVHMFGRCLKTFY-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.61
Rot. Bonds2

About N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide

N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide (PubChem CID 4849810) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide
PubChem CID4849810
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC NameN-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H20ClNO2/c18-13-1-3-14(4-2-13)19-15(20)16-6-11-5-12(7-16)9-17(21,8-11)10-16/h1-4,11-12,21H,5-10H2,(H,19,20)
InChIKeyOSVHMFGRCLKTFY-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 4307781
N-(3,4-dichlorophenyl)adamantane-1-carboxamide
CID 2838902
1-Adamantanecarboxamide, N-(3-chlorophenyl)-
CID 532252
N-(4-chlorophenyl)-N-hydroxyadamantane-1-carboxamide
CID 11232014
[4-(2-Amino-5-chlorophenyl)piperazin-1-yl]-(3-hydroxy-1-adamantyl)methanone
CID 172455631
N-(4-chlorophenyl)adamantane-1-carboxamide
CID 5136442
2-[(4-Chlorophenyl)amino]-2-oxoethyl adamantane-1-carboxylate
CID 3333484
N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 4007957
adamantanyl-N-(4-chloro-2-fluorophenyl)carboxamide
CID 2931551
N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 3873265

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide (CID 4849810) is N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide?
The InChIKey is OSVHMFGRCLKTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-13-1-3-14(4-2-13)19-15(20)16-6-11-5-12(7-16)9-17(21,8-11)10-16/h1-4,11-12,21H,5-10H2,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide?
N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide has a molecular weight of 305.80 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 4849810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).