N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide

C19H23FN2O3 — CID 51103819

IUPACN-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(C)(CNC(=O)CCCNC(=O)c1ccco1)c1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-19(2,14-7-3-4-8-15(14)20)13-22-17(23)10-5-11-21-18(24)16-9-6-12-25-16/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVYDPFPFNDRRBHU-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.02
Rot. Bonds8

About N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 51103819) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID51103819
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(C)(CNC(=O)CCCNC(=O)c1ccco1)c1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-19(2,14-7-3-4-8-15(14)20)13-22-17(23)10-5-11-21-18(24)16-9-6-12-25-16/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVYDPFPFNDRRBHU-UHFFFAOYSA-N
XLogP3.02
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.02
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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Related Compounds

3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55716370
4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-(2-fluorophenyl)propan-2-yl]furan-2-carboxamide
CID 110443410
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 51103819) is N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide is CC(C)(CNC(=O)CCCNC(=O)c1ccco1)c1ccccc1F.
What is the InChIKey of N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is VYDPFPFNDRRBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(2,14-7-3-4-8-15(14)20)13-22-17(23)10-5-11-21-18(24)16-9-6-12-25-16/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 51103819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).