N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide

C19H24ClNO — CID 585209

IUPACN-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO/c20-17-3-1-13(2-4-17)5-6-21-18(22)19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H,21,22)
InChIKeyCGQIJHOTCWOLSI-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.22
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide (PubChem CID 585209) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide
PubChem CID585209
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO/c20-17-3-1-13(2-4-17)5-6-21-18(22)19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H,21,22)
InChIKeyCGQIJHOTCWOLSI-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide (CID 585209) is N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide?
The InChIKey is CGQIJHOTCWOLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c20-17-3-1-13(2-4-17)5-6-21-18(22)19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide has a molecular weight of 317.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 585209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).