N-(3-chlorophenyl)adamantane-1-carboxamide

C17H20ClNO — CID 532252

IUPACN-(3-chlorophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20ClNO/c18-14-2-1-3-15(7-14)19-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)
InChIKeyOWEPCGATVXVIDJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.49
Rot. Bonds2

About N-(3-chlorophenyl)adamantane-1-carboxamide

N-(3-chlorophenyl)adamantane-1-carboxamide (PubChem CID 532252) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)adamantane-1-carboxamide
PubChem CID532252
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-(3-chlorophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20ClNO/c18-14-2-1-3-15(7-14)19-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)
InChIKeyOWEPCGATVXVIDJ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)adamantane-1-carboxamide (CID 532252) is N-(3-chlorophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)adamantane-1-carboxamide is O=C(Nc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-chlorophenyl)adamantane-1-carboxamide?
The InChIKey is OWEPCGATVXVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-14-2-1-3-15(7-14)19-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20).
What are the key properties of N-(3-chlorophenyl)adamantane-1-carboxamide?
N-(3-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-(3-chlorophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 532252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).