N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide

C15H17ClINO — CID 113229546

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1I
InChIInChI=1S/C15H17ClINO/c16-12-3-4-14(17)13(7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19)
InChIKeyJRMFHDQUZZNIHI-UHFFFAOYSA-N
MW389.66 g/mol
LogP4.11
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide (PubChem CID 113229546) has the molecular formula C15H17ClINO and a molecular weight of 389.66 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
PubChem CID113229546
Molecular FormulaC15H17ClINO
Molecular Weight389.66 g/mol
Exact Mass389.00
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1I
InChIInChI=1S/C15H17ClINO/c16-12-3-4-14(17)13(7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19)
InChIKeyJRMFHDQUZZNIHI-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 54.11
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

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
CID 113229608
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107029927
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648978
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648977
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide (CID 113229546) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide is O=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1I.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide?
The InChIKey is JRMFHDQUZZNIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClINO/c16-12-3-4-14(17)13(7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide has a molecular weight of 389.66 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 113229546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).