N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide

C19H23ClFNO — CID 4800498

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23ClFNO/c1-22(11-15-16(20)3-2-4-17(15)21)18(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3
InChIKeyKBWWQNJOEJYJRG-UHFFFAOYSA-N
MW335.85 g/mol
LogP4.65
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide (PubChem CID 4800498) has the molecular formula C19H23ClFNO and a molecular weight of 335.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide
PubChem CID4800498
Molecular FormulaC19H23ClFNO
Molecular Weight335.85 g/mol
Exact Mass335.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23ClFNO/c1-22(11-15-16(20)3-2-4-17(15)21)18(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3
InChIKeyKBWWQNJOEJYJRG-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide (CID 4800498) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide?
The InChIKey is KBWWQNJOEJYJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO/c1-22(11-15-16(20)3-2-4-17(15)21)18(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide has a molecular weight of 335.85 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 4800498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).