N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide

C18H20FNO3 — CID 51222770

IUPACN-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H20FNO3/c19-15-5-2-1-4-14(15)16-8-9-17(23-16)18(21)20-10-3-11-22-12-13-6-7-13/h1-2,4-5,8-9,13H,3,6-7,10-12H2,(H,20,21)
InChIKeyDRLNTLSSSIWUOY-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.63
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 51222770) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID51222770
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H20FNO3/c19-15-5-2-1-4-14(15)16-8-9-17(23-16)18(21)20-10-3-11-22-12-13-6-7-13/h1-2,4-5,8-9,13H,3,6-7,10-12H2,(H,20,21)
InChIKeyDRLNTLSSSIWUOY-UHFFFAOYSA-N
XLogP3.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
CID 47117300
5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
CID 51948414
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
5-(2-aminophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687714
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51109880
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 24682818
5-(2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111333061
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
5-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 51180762
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 51222770) is N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide is O=C(NCCCOCC1CC1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is DRLNTLSSSIWUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c19-15-5-2-1-4-14(15)16-8-9-17(23-16)18(21)20-10-3-11-22-12-13-6-7-13/h1-2,4-5,8-9,13H,3,6-7,10-12H2,(H,20,21).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 51222770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).