[(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea

C19H23FN4O2 — CID 39641678

IUPAC[(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea
SMILESCCN(NC(=O)C[C@@H](NC(N)=O)c1ccccc1F)c1ccc(C)cc1
InChIInChI=1S/C19H23FN4O2/c1-3-24(14-10-8-13(2)9-11-14)23-18(25)12-17(22-19(21)26)15-6-4-5-7-16(15)20/h4-11,17H,3,12H2,1-2H3,(H,23,25)(H3,21,22,26)/t17-/m1/s1
InChIKeyFSMATDMBRPLTMP-QGZVFWFLSA-N
MW358.42 g/mol
LogP2.79
Rot. Bonds7

About [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea

[(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea (PubChem CID 39641678) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea
PubChem CID39641678
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea
SMILESCCN(NC(=O)C[C@@H](NC(N)=O)c1ccccc1F)c1ccc(C)cc1
InChIInChI=1S/C19H23FN4O2/c1-3-24(14-10-8-13(2)9-11-14)23-18(25)12-17(22-19(21)26)15-6-4-5-7-16(15)20/h4-11,17H,3,12H2,1-2H3,(H,23,25)(H3,21,22,26)/t17-/m1/s1
InChIKeyFSMATDMBRPLTMP-QGZVFWFLSA-N
XLogP2.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 98367833
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CID 42959553
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
2-[1-(2-fluorophenyl)propylamino]-2-methylpropanamide
CID 112676964
(3S)-3-(carbamoylamino)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(2-fluorophenyl)propanamide
CID 51935494
3-(carbamoylamino)-N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 42953327
(3R)-3-(carbamoylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-fluorophenyl)propanamide
CID 38834282
(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
CID 51960540
(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
CID 41172294
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide
CID 31817367
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea?
The IUPAC name of [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea (CID 39641678) is [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea.
What is the SMILES notation for [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea?
The canonical SMILES for [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea is CCN(NC(=O)C[C@@H](NC(N)=O)c1ccccc1F)c1ccc(C)cc1.
What is the InChIKey of [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea?
The InChIKey is FSMATDMBRPLTMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-3-24(14-10-8-13(2)9-11-14)23-18(25)12-17(22-19(21)26)15-6-4-5-7-16(15)20/h4-11,17H,3,12H2,1-2H3,(H,23,25)(H3,21,22,26)/t17-/m1/s1.
What are the key properties of [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea?
[(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea has a molecular weight of 358.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea is sourced from PubChem (CID 39641678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).