N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide

C22H22FN3O3 — CID 8829914

IUPACN'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide
SMILESCCc1ccc([C@@H](NCC(=O)NNC(=O)c2ccco2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H22FN3O3/c1-2-15-8-10-16(11-9-15)21(17-5-3-6-18(23)13-17)24-14-20(27)25-26-22(28)19-7-4-12-29-19/h3-13,21,24H,2,14H2,1H3,(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyWDWJFUMRICYFHX-OAQYLSRUSA-N
MW395.43 g/mol
LogP3.12
Rot. Bonds7

About N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide

N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide (PubChem CID 8829914) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide
PubChem CID8829914
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide
SMILESCCc1ccc([C@@H](NCC(=O)NNC(=O)c2ccco2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H22FN3O3/c1-2-15-8-10-16(11-9-15)21(17-5-3-6-18(23)13-17)24-14-20(27)25-26-22(28)19-7-4-12-29-19/h3-13,21,24H,2,14H2,1H3,(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyWDWJFUMRICYFHX-OAQYLSRUSA-N
XLogP3.12
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719979
N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8830525
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8720043
N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719944
N'-[2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8996622
N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
CID 8995988
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18159228
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8829973

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide (CID 8829914) is N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide is CCc1ccc([C@@H](NCC(=O)NNC(=O)c2ccco2)c2cccc(F)c2)cc1.
What is the InChIKey of N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide?
The InChIKey is WDWJFUMRICYFHX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-2-15-8-10-16(11-9-15)21(17-5-3-6-18(23)13-17)24-14-20(27)25-26-22(28)19-7-4-12-29-19/h3-13,21,24H,2,14H2,1H3,(H,25,27)(H,26,28)/t21-/m1/s1.
What are the key properties of N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide?
N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide has a molecular weight of 395.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 8829914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).