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

C17H20ClNO — CID 5136442

IUPACN-(4-chlorophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20ClNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyXOFZUDKYCSEZHT-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.49
Rot. Bonds2

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

N-(4-chlorophenyl)adamantane-1-carboxamide (PubChem CID 5136442) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)adamantane-1-carboxamide
PubChem CID5136442
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-(4-chlorophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20ClNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyXOFZUDKYCSEZHT-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Monalide
CID 23715
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CID 531819
N-(3-Chloro-phenyl)-2-cyclohexyl-acetamide
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N-[2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl]tricyclo[3,3,1,13,7]decane-1-carboxamide Dihydrochloride
CID 45262376
N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
CID 331255
N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropanecarboxamide
CID 2933451
N-Phenyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 4352323
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]adamantane-1-carboxamide;dihydrochloride
CID 45265588
N-(4-chlorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 121325203
N-(4-Chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)adamantane-1-carboxamide (CID 5136442) is N-(4-chlorophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)adamantane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-chlorophenyl)adamantane-1-carboxamide?
The InChIKey is XOFZUDKYCSEZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20).
What are the key properties of N-(4-chlorophenyl)adamantane-1-carboxamide?
N-(4-chlorophenyl)adamantane-1-carboxamide has a molecular weight of 289.81 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 5136442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).