3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride

C18H27ClFN3O2 — CID 119619954

IUPAC3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCCNC2CCCCCC2)ccc1F.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-13(23)22-17-12-14(8-9-16(17)19)18(24)21-11-10-20-15-6-4-2-3-5-7-15;/h8-9,12,15,20H,2-7,10-11H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyKWVKKYGRPMVVSE-UHFFFAOYSA-N
MW371.88 g/mol
LogP3.25
Rot. Bonds6

About 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride

3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119619954) has the molecular formula C18H27ClFN3O2 and a molecular weight of 371.88 g/mol. Its IUPAC name is 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
PubChem CID119619954
Molecular FormulaC18H27ClFN3O2
Molecular Weight371.88 g/mol
Exact Mass371.18
IUPAC Name3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCCNC2CCCCCC2)ccc1F.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-13(23)22-17-12-14(8-9-16(17)19)18(24)21-11-10-20-15-6-4-2-3-5-7-15;/h8-9,12,15,20H,2-7,10-11H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyKWVKKYGRPMVVSE-UHFFFAOYSA-N
XLogP3.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride (CID 119619954) is 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride is CC(=O)Nc1cc(C(=O)NCCNC2CCCCCC2)ccc1F.Cl.
What is the InChIKey of 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is KWVKKYGRPMVVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2.ClH/c1-13(23)22-17-12-14(8-9-16(17)19)18(24)21-11-10-20-15-6-4-2-3-5-7-15;/h8-9,12,15,20H,2-7,10-11H2,1H3,(H,21,24)(H,22,23);1H.
What are the key properties of 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride?
3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119619954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).