N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride

C16H23ClF2N2O — CID 119620646

IUPACN-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O.ClH/c17-12-7-8-14(15(18)11-12)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);1H
InChIKeyLAIMUHNEGUEOME-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride (PubChem CID 119620646) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
PubChem CID119620646
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O.ClH/c17-12-7-8-14(15(18)11-12)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);1H
InChIKeyLAIMUHNEGUEOME-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.43
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]-2,4-difluorobenzamide
CID 78960880
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
CID 51130080
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
N-[2-(cyclohexylamino)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 19008852
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride (CID 119620646) is N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride?
The InChIKey is LAIMUHNEGUEOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c17-12-7-8-14(15(18)11-12)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);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 3.43, 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]-2,4-difluorobenzamide;hydrochloride is sourced from PubChem (CID 119620646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).