N-(2-tert-butylcyclohexyl)-4-iodobenzamide

C17H24INO — CID 63525981

IUPACN-(2-tert-butylcyclohexyl)-4-iodobenzamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C17H24INO/c1-17(2,3)14-6-4-5-7-15(14)19-16(20)12-8-10-13(18)11-9-12/h8-11,14-15H,4-7H2,1-3H3,(H,19,20)
InChIKeyIDKFLWZQDZSDNO-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.63
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-4-iodobenzamide

N-(2-tert-butylcyclohexyl)-4-iodobenzamide (PubChem CID 63525981) has the molecular formula C17H24INO and a molecular weight of 385.29 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-4-iodobenzamide
PubChem CID63525981
Molecular FormulaC17H24INO
Molecular Weight385.29 g/mol
Exact Mass385.09
IUPAC NameN-(2-tert-butylcyclohexyl)-4-iodobenzamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C17H24INO/c1-17(2,3)14-6-4-5-7-15(14)19-16(20)12-8-10-13(18)11-9-12/h8-11,14-15H,4-7H2,1-3H3,(H,19,20)
InChIKeyIDKFLWZQDZSDNO-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.63
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

4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
CID 102851083
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-4-iodobenzamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-4-iodobenzamide (CID 63525981) is N-(2-tert-butylcyclohexyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-4-iodobenzamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-4-iodobenzamide is CC(C)(C)C1CCCCC1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-4-iodobenzamide?
The InChIKey is IDKFLWZQDZSDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24INO/c1-17(2,3)14-6-4-5-7-15(14)19-16(20)12-8-10-13(18)11-9-12/h8-11,14-15H,4-7H2,1-3H3,(H,19,20).
What are the key properties of N-(2-tert-butylcyclohexyl)-4-iodobenzamide?
N-(2-tert-butylcyclohexyl)-4-iodobenzamide has a molecular weight of 385.29 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-4-iodobenzamide is sourced from PubChem (CID 63525981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).