N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C19H23FN2O4 — CID 55873980

IUPACN-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCCCCOc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C19H23FN2O4/c1-13-11-17(14(2)26-13)19(24)22-12-18(23)21-9-3-4-10-25-16-7-5-15(20)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKLZHXRANBTYDTO-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.74
Rot. Bonds9

About N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55873980) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55873980
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCCCCOc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C19H23FN2O4/c1-13-11-17(14(2)26-13)19(24)22-12-18(23)21-9-3-4-10-25-16-7-5-15(20)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKLZHXRANBTYDTO-UHFFFAOYSA-N
XLogP2.74
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
CID 42572414
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55914707
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231
2-bromo-5-fluoro-N-[3-[4-(4-fluorophenoxy)butylamino]-3-oxopropyl]benzamide
CID 55793280
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572295
2-(4-acetamidophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572371
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 33108068
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55873980) is N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)NCCCCOc2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KLZHXRANBTYDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-13-11-17(14(2)26-13)19(24)22-12-18(23)21-9-3-4-10-25-16-7-5-15(20)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55873980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).