N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide

C17H19FN2O3 — CID 95583298

IUPACN-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)o1
InChIInChI=1S/C17H19FN2O3/c1-2-14-7-8-15(23-14)17(22)20-10-12(16(19)21)9-11-3-5-13(18)6-4-11/h3-8,12H,2,9-10H2,1H3,(H2,19,21)(H,20,22)/t12-/m0/s1
InChIKeyLHONUUBWYQPLPV-LBPRGKRZSA-N
MW318.35 g/mol
LogP2.06
Rot. Bonds7

About N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide

N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide (PubChem CID 95583298) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
PubChem CID95583298
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)o1
InChIInChI=1S/C17H19FN2O3/c1-2-14-7-8-15(23-14)17(22)20-10-12(16(19)21)9-11-3-5-13(18)6-4-11/h3-8,12H,2,9-10H2,1H3,(H2,19,21)(H,20,22)/t12-/m0/s1
InChIKeyLHONUUBWYQPLPV-LBPRGKRZSA-N
XLogP2.06
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
CID 56819872
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 56821713
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide (CID 95583298) is N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)o1.
What is the InChIKey of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide?
The InChIKey is LHONUUBWYQPLPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-2-14-7-8-15(23-14)17(22)20-10-12(16(19)21)9-11-3-5-13(18)6-4-11/h3-8,12H,2,9-10H2,1H3,(H2,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide?
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 95583298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).