N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide

C18H21ClN2O2 — CID 2805265

IUPACN-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide
SMILESO=C(NC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c19-14-1-3-15(4-2-14)20-17(23)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21,22,23)
InChIKeyRCJGNEPCUKKOQL-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.20
Rot. Bonds2

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

N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide (PubChem CID 2805265) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide
PubChem CID2805265
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide
SMILESO=C(NC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c19-14-1-3-15(4-2-14)20-17(23)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21,22,23)
InChIKeyRCJGNEPCUKKOQL-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide (CID 2805265) is N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide is O=C(NC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide?
The InChIKey is RCJGNEPCUKKOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-14-1-3-15(4-2-14)20-17(23)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21,22,23).
What are the key properties of N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide?
N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamoyl]adamantane-1-carboxamide is sourced from PubChem (CID 2805265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).