N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C19H22FN3O5 — CID 9159876

IUPACN-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O5/c1-11(2)16(21-18(25)15-5-4-10-27-15)19(26)23-22-17(24)12(3)28-14-8-6-13(20)7-9-14/h4-12,16H,1-3H3,(H,21,25)(H,22,24)(H,23,26)/t12-,16-/m0/s1
InChIKeyKFWNLFWUZCHVNE-LRDDRELGSA-N
MW391.40 g/mol
LogP1.79
Rot. Bonds7

About N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 9159876) has the molecular formula C19H22FN3O5 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID9159876
Molecular FormulaC19H22FN3O5
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC NameN-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O5/c1-11(2)16(21-18(25)15-5-4-10-27-15)19(26)23-22-17(24)12(3)28-14-8-6-13(20)7-9-14/h4-12,16H,1-3H3,(H,21,25)(H,22,24)(H,23,26)/t12-,16-/m0/s1
InChIKeyKFWNLFWUZCHVNE-LRDDRELGSA-N
XLogP1.79
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide
CID 7779836
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N-[1-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46521359
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8769944
N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 124617658
N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9160701
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 9159876) is N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is KFWNLFWUZCHVNE-LRDDRELGSA-N. The full InChI is InChI=1S/C19H22FN3O5/c1-11(2)16(21-18(25)15-5-4-10-27-15)19(26)23-22-17(24)12(3)28-14-8-6-13(20)7-9-14/h4-12,16H,1-3H3,(H,21,25)(H,22,24)(H,23,26)/t12-,16-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 9159876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).