4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide

C19H22FN3O2 — CID 9453506

IUPAC4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
SMILESCc1ccccc1CN(C)[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13-6-4-5-7-16(13)12-23(3)14(2)18(24)21-22-19(25)15-8-10-17(20)11-9-15/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyVYFLGYSLGOCCDH-AWEZNQCLSA-N
MW343.40 g/mol
LogP2.42
Rot. Bonds5

About 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide

4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide (PubChem CID 9453506) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
PubChem CID9453506
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
SMILESCc1ccccc1CN(C)[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13-6-4-5-7-16(13)12-23(3)14(2)18(24)21-22-19(25)15-8-10-17(20)11-9-15/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyVYFLGYSLGOCCDH-AWEZNQCLSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9453505
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide
CID 9441563
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 51243139
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
methyl 2,4-dimethyl-5-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]-1H-pyrrole-3-carboxylate
CID 8516723

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide (CID 9453506) is 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide is Cc1ccccc1CN(C)[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide?
The InChIKey is VYFLGYSLGOCCDH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-6-4-5-7-16(13)12-23(3)14(2)18(24)21-22-19(25)15-8-10-17(20)11-9-15/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m0/s1.
What are the key properties of 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide?
4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide has a molecular weight of 343.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide is sourced from PubChem (CID 9453506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).