2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide

C16H21ClINO — CID 173122018

IUPAC2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
SMILESO=C(NCC1CCCCCCC1)c1cc(I)ccc1Cl
InChIInChI=1S/C16H21ClINO/c17-15-9-8-13(18)10-14(15)16(20)19-11-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,19,20)
InChIKeySUAOOJKXDJNDHY-UHFFFAOYSA-N
MW405.71 g/mol
LogP5.03
Rot. Bonds3

About 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide

2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide (PubChem CID 173122018) has the molecular formula C16H21ClINO and a molecular weight of 405.71 g/mol. Its IUPAC name is 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
PubChem CID173122018
Molecular FormulaC16H21ClINO
Molecular Weight405.71 g/mol
Exact Mass405.04
IUPAC Name2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
SMILESO=C(NCC1CCCCCCC1)c1cc(I)ccc1Cl
InChIInChI=1S/C16H21ClINO/c17-15-9-8-13(18)10-14(15)16(20)19-11-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,19,20)
InChIKeySUAOOJKXDJNDHY-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 55.03
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

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5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
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N-(cyclohexylmethyl)-4-iodobenzamide
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2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
2-chloro-N-(cyclooctylmethyl)-5-piperazin-1-ylbenzamide;methane
CID 173258924
2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide?
The IUPAC name of 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide (CID 173122018) is 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide is O=C(NCC1CCCCCCC1)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide?
The InChIKey is SUAOOJKXDJNDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClINO/c17-15-9-8-13(18)10-14(15)16(20)19-11-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,19,20).
What are the key properties of 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide?
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide has a molecular weight of 405.71 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide is sourced from PubChem (CID 173122018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).