N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide

C17H21FN2O2 — CID 119665414

IUPACN-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H21FN2O2/c1-2-3-6-12(11-19)20-17(21)16-10-9-15(22-16)13-7-4-5-8-14(13)18/h4-5,7-10,12H,2-3,6,11,19H2,1H3,(H,20,21)
InChIKeyOTZKESDJQLFSHU-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.33
Rot. Bonds7

About N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide

N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 119665414) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID119665414
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H21FN2O2/c1-2-3-6-12(11-19)20-17(21)16-10-9-15(22-16)13-7-4-5-8-14(13)18/h4-5,7-10,12H,2-3,6,11,19H2,1H3,(H,20,21)
InChIKeyOTZKESDJQLFSHU-UHFFFAOYSA-N
XLogP3.33
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119613475
N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119996463
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8756941
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
N-(1-aminohexan-2-yl)-5-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119665591
N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119665668
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119640271
N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119667798
N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 119666719

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 119665414) is N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide is CCCCC(CN)NC(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is OTZKESDJQLFSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-2-3-6-12(11-19)20-17(21)16-10-9-15(22-16)13-7-4-5-8-14(13)18/h4-5,7-10,12H,2-3,6,11,19H2,1H3,(H,20,21).
What are the key properties of N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 119665414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).