N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide

C18H23ClN2O — CID 20670029

IUPACN-(1-adamantylmethyl)-2-amino-6-chlorobenzamide
SMILESC1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC=C4Cl)N
InChIInChI=1S/C18H23ClN2O/c19-14-2-1-3-15(20)16(14)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22)
InChIKeyKMAZICTVLRBFEW-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.60
Rot. Bonds3

About N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide

N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide (PubChem CID 20670029) has the molecular formula C18H23ClN2O and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-amino-6-chlorobenzamide
PubChem CID20670029
Molecular FormulaC18H23ClN2O
Molecular Weight318.80 g/mol
Exact Mass318.15
IUPAC NameN-(1-adamantylmethyl)-2-amino-6-chlorobenzamide
SMILESC1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC=C4Cl)N
InChIInChI=1S/C18H23ClN2O/c19-14-2-1-3-15(20)16(14)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22)
InChIKeyKMAZICTVLRBFEW-UHFFFAOYSA-N
XLogP4.60
TPSA55.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity411

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide (CID 20670029) is N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide is C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC=C4Cl)N.
What is the InChIKey of N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide?
The InChIKey is KMAZICTVLRBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c19-14-2-1-3-15(20)16(14)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide?
N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide has a molecular weight of 318.80 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide is sourced from PubChem (CID 20670029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).