5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

C15H18ClFN2OS — CID 119429577

IUPAC5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1.Cl
InChIInChI=1S/C15H17FN2OS.ClH/c1-17-9-2-10-18-15(19)14-8-7-13(20-14)11-3-5-12(16)6-4-11;/h3-8,17H,2,9-10H2,1H3,(H,18,19);1H
InChIKeyKZVAQBLIHFCTME-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.32
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119429577) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119429577
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC Name5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1.Cl
InChIInChI=1S/C15H17FN2OS.ClH/c1-17-9-2-10-18-15(19)14-8-7-13(20-14)11-3-5-12(16)6-4-11;/h3-8,17H,2,9-10H2,1H3,(H,18,19);1H
InChIKeyKZVAQBLIHFCTME-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 119429577) is 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is CNCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1.Cl.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is KZVAQBLIHFCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS.ClH/c1-17-9-2-10-18-15(19)14-8-7-13(20-14)11-3-5-12(16)6-4-11;/h3-8,17H,2,9-10H2,1H3,(H,18,19);1H.
What are the key properties of 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119429577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).