N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide

C16H23IN2O — CID 115306464

IUPACN-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(I)cc1
InChIInChI=1S/C16H23IN2O/c17-14-9-7-13(8-10-14)16(20)19-12-11-18-15-5-3-1-2-4-6-15/h7-10,15,18H,1-6,11-12H2,(H,19,20)
InChIKeyUFQCDJIPZLUELW-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide

N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide (PubChem CID 115306464) has the molecular formula C16H23IN2O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
PubChem CID115306464
Molecular FormulaC16H23IN2O
Molecular Weight386.28 g/mol
Exact Mass386.09
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(I)cc1
InChIInChI=1S/C16H23IN2O/c17-14-9-7-13(8-10-14)16(20)19-12-11-18-15-5-3-1-2-4-6-15/h7-10,15,18H,1-6,11-12H2,(H,19,20)
InChIKeyUFQCDJIPZLUELW-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 512375
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide
CID 119619320
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 113283330

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide (CID 115306464) is N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide is O=C(NCCNC1CCCCCC1)c1ccc(I)cc1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide?
The InChIKey is UFQCDJIPZLUELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O/c17-14-9-7-13(8-10-14)16(20)19-12-11-18-15-5-3-1-2-4-6-15/h7-10,15,18H,1-6,11-12H2,(H,19,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide?
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide has a molecular weight of 386.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide is sourced from PubChem (CID 115306464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).