2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide

C15H19BrINO — CID 114027530

IUPAC2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(I)ccc2Br)CC1
InChIInChI=1S/C15H19BrINO/c1-10-3-6-12(7-4-10)18(2)15(19)13-9-11(17)5-8-14(13)16/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyPTHKAJWOYHGTKB-UHFFFAOYSA-N
MW436.13 g/mol
LogP4.70
Rot. Bonds2

About 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide

2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide (PubChem CID 114027530) has the molecular formula C15H19BrINO and a molecular weight of 436.13 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
PubChem CID114027530
Molecular FormulaC15H19BrINO
Molecular Weight436.13 g/mol
Exact Mass434.97
IUPAC Name2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(I)ccc2Br)CC1
InChIInChI=1S/C15H19BrINO/c1-10-3-6-12(7-4-10)18(2)15(19)13-9-11(17)5-8-14(13)16/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyPTHKAJWOYHGTKB-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 103606106
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
CID 113364301
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide
CID 81110329
2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide
CID 102684421
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
2-bromo-N-[(3-hydroxycyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 102808059
2-bromo-N-[(3-bromocyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 114026531
5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 55028576

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide (CID 114027530) is 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide is CC1CCC(N(C)C(=O)c2cc(I)ccc2Br)CC1.
What is the InChIKey of 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
The InChIKey is PTHKAJWOYHGTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrINO/c1-10-3-6-12(7-4-10)18(2)15(19)13-9-11(17)5-8-14(13)16/h5,8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide has a molecular weight of 436.13 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 114027530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).