3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide

C16H22Cl2N2O — CID 115280931

IUPAC3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c17-14-8-7-12(11-15(14)18)16(21)20-10-9-19-13-5-3-1-2-4-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,20,21)
InChIKeyYTMHHALXEKUUKT-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.04
Rot. Bonds5

About 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide

3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide (PubChem CID 115280931) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
PubChem CID115280931
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c17-14-8-7-12(11-15(14)18)16(21)20-10-9-19-13-5-3-1-2-4-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,20,21)
InChIKeyYTMHHALXEKUUKT-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
3,4-dichloro-N-[2-[(2-cyclopentylsulfonylacetyl)amino]ethyl]benzamide
CID 78883378
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
4-chloro-N-[4-[2-(cyclohexylamino)ethylamino]butyl]-3-sulfamoylbenzamide
CID 139937742
3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
CID 115306479
N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride
CID 119619715
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119620649
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide (CID 115280931) is 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide is O=C(NCCNC1CCCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide?
The InChIKey is YTMHHALXEKUUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-14-8-7-12(11-15(14)18)16(21)20-10-9-19-13-5-3-1-2-4-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,20,21).
What are the key properties of 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide?
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide has a molecular weight of 329.27 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide is sourced from PubChem (CID 115280931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).