(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide

C18H22ClNO2 — CID 7946875

IUPAC(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cccc(NC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1
InChIInChI=1S/C18H22ClNO2/c1-22-15-4-2-3-14(6-15)20-16(21)17-7-12-5-13(8-17)10-18(19,9-12)11-17/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,21)/t12-,13+,17?,18?
InChIKeyYOPADFPHPYTDCP-NLKGSNSHSA-N
MW319.83 g/mol
LogP4.21
Rot. Bonds3

About (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide

(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide (PubChem CID 7946875) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide
PubChem CID7946875
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cccc(NC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1
InChIInChI=1S/C18H22ClNO2/c1-22-15-4-2-3-14(6-15)20-16(21)17-7-12-5-13(8-17)10-18(19,9-12)11-17/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,21)/t12-,13+,17?,18?
InChIKeyYOPADFPHPYTDCP-NLKGSNSHSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-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

Related Compounds

(5S,7S)-3-chloro-N-(3-chloro-4-methoxyphenyl)adamantane-1-carboxamide
CID 98594949
(5S,7R)-3-chloro-N-(4-phenoxyphenyl)adamantane-1-carboxamide
CID 7914982
3-chloro-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
CID 42906238
(5S,7R)-3-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]adamantane-1-carboxamide
CID 9109144
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
(5S,7R)-3-chloro-N-[4-(trifluoromethoxy)phenyl]adamantane-1-carboxamide
CID 7957211
(5S,7R)-3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 7948017
(5S,7R)-3-chloro-N-(2,3-dimethylphenyl)adamantane-1-carboxamide
CID 7733056
(5R,7R)-3-chloro-N-(4-methylsulfonylphenyl)adamantane-1-carboxamide
CID 98349263
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
[2-(3-methoxyanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470795
(5S,7R)-3-chloro-N-(4-phenyldiazenylphenyl)adamantane-1-carboxamide
CID 7927093

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide (CID 7946875) is (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide is COc1cccc(NC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1.
What is the InChIKey of (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide?
The InChIKey is YOPADFPHPYTDCP-NLKGSNSHSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-22-15-4-2-3-14(6-15)20-16(21)17-7-12-5-13(8-17)10-18(19,9-12)11-17/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,21)/t12-,13+,17?,18?.
What are the key properties of (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide?
(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide has a molecular weight of 319.83 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 7946875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).