N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide

C17H19ClINO — CID 107606833

IUPACN-(2-chloro-4-iodophenyl)adamantane-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19ClINO/c18-14-8-13(19)1-2-15(14)20-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21)
InChIKeyAKCWVWXJFKHZIA-UHFFFAOYSA-N
MW415.70 g/mol
LogP4.96
Rot. Bonds2

About N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide

N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide (PubChem CID 107606833) has the molecular formula C17H19ClINO and a molecular weight of 415.70 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)adamantane-2-carboxamide
PubChem CID107606833
Molecular FormulaC17H19ClINO
Molecular Weight415.70 g/mol
Exact Mass415.02
IUPAC NameN-(2-chloro-4-iodophenyl)adamantane-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19ClINO/c18-14-8-13(19)1-2-15(14)20-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21)
InChIKeyAKCWVWXJFKHZIA-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366670
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
CID 107697676
N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
CID 78915665
N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide
CID 81098383
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
CID 107606787
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
CID 107605946

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide (CID 107606833) is N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide is O=C(Nc1ccc(I)cc1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide?
The InChIKey is AKCWVWXJFKHZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClINO/c18-14-8-13(19)1-2-15(14)20-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21).
What are the key properties of N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide?
N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide has a molecular weight of 415.70 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide is sourced from PubChem (CID 107606833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).