N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide

C14H17BrINO — CID 114312139

IUPACN-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
SMILESO=C(NCC1CCCCC1Br)c1ccc(I)cc1
InChIInChI=1S/C14H17BrINO/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(16)8-6-10/h5-8,11,13H,1-4,9H2,(H,17,18)
InChIKeyMEPZKPRDQFILJI-UHFFFAOYSA-N
MW422.10 g/mol
LogP3.97
Rot. Bonds3

About N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide

N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide (PubChem CID 114312139) has the molecular formula C14H17BrINO and a molecular weight of 422.10 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
PubChem CID114312139
Molecular FormulaC14H17BrINO
Molecular Weight422.10 g/mol
Exact Mass420.95
IUPAC NameN-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
SMILESO=C(NCC1CCCCC1Br)c1ccc(I)cc1
InChIInChI=1S/C14H17BrINO/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(16)8-6-10/h5-8,11,13H,1-4,9H2,(H,17,18)
InChIKeyMEPZKPRDQFILJI-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313884
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide (CID 114312139) is N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide is O=C(NCC1CCCCC1Br)c1ccc(I)cc1.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide?
The InChIKey is MEPZKPRDQFILJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(16)8-6-10/h5-8,11,13H,1-4,9H2,(H,17,18).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide?
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide has a molecular weight of 422.10 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide is sourced from PubChem (CID 114312139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).