(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide

C19H23Cl2NO — CID 2130210

IUPAC(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESC[C@]12CC3CC(C(=O)Nc4cc(Cl)ccc4Cl)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H23Cl2NO/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)22-15-5-13(20)3-4-14(15)21/h3-5,12H,6-11H2,1-2H3,(H,22,23)/t12?,17-,18+,19?
InChIKeyJGWUPSJJJAZNTM-CMXJYWLISA-N
MW352.31 g/mol
LogP5.93
Rot. Bonds2

About (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide

(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 2130210) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID2130210
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC Name(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESC[C@]12CC3CC(C(=O)Nc4cc(Cl)ccc4Cl)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H23Cl2NO/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)22-15-5-13(20)3-4-14(15)21/h3-5,12H,6-11H2,1-2H3,(H,22,23)/t12?,17-,18+,19?
InChIKeyJGWUPSJJJAZNTM-CMXJYWLISA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-chloro-3-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoate
CID 2886759
(5S,7R)-N-(2,5-dichlorophenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2379502
(3R,5R)-3,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)adamantane-1-carboxamide
CID 98328149
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 17168267
N-[(2,5-dichlorophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787498
(3-chlorothiophen-2-yl)-(3,5-dimethyl-1-adamantyl)methanone
CID 80528899
N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
CID 11955959
N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
CID 81261991
3,5-dimethyl-N-(1,2-oxazol-3-yl)adamantane-1-carboxamide
CID 6469518
3-(adamantane-1-carbonylamino)-4-chlorobenzoic acid
CID 23888644
(5S,7R)-3-chloro-N-(5-chloro-2-fluorophenyl)adamantane-1-carboxamide
CID 8759479

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide (CID 2130210) is (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide is C[C@]12CC3CC(C(=O)Nc4cc(Cl)ccc4Cl)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is JGWUPSJJJAZNTM-CMXJYWLISA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)22-15-5-13(20)3-4-14(15)21/h3-5,12H,6-11H2,1-2H3,(H,22,23)/t12?,17-,18+,19?.
What are the key properties of (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide?
(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 2130210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).