(3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide

C15H23FN2O2 — CID 124881460

IUPAC(3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide
SMILESCOc1cc(F)ccc1NNC(=O)C[C@H](C)C(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(15(2,3)4)8-14(19)18-17-12-7-6-11(16)9-13(12)20-5/h6-7,9-10,17H,8H2,1-5H3,(H,18,19)/t10-/m0/s1
InChIKeyNGSJBLHQYNVZLU-JTQLQIEISA-N
MW282.36 g/mol
LogP3.35
Rot. Bonds5

About (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide

(3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide (PubChem CID 124881460) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide.

Molecular Properties

Compound Name(3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide
PubChem CID124881460
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide
SMILESCOc1cc(F)ccc1NNC(=O)C[C@H](C)C(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(15(2,3)4)8-14(19)18-17-12-7-6-11(16)9-13(12)20-5/h6-7,9-10,17H,8H2,1-5H3,(H,18,19)/t10-/m0/s1
InChIKeyNGSJBLHQYNVZLU-JTQLQIEISA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.35
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

1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
2-[(5-fluoro-2-methoxyanilino)methyl]-3-methylbutanoic acid
CID 115250173
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120547
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide
CID 34083092
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide?
The IUPAC name of (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide (CID 124881460) is (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide.
What is the SMILES notation for (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide?
The canonical SMILES for (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide is COc1cc(F)ccc1NNC(=O)C[C@H](C)C(C)(C)C.
What is the InChIKey of (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide?
The InChIKey is NGSJBLHQYNVZLU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(15(2,3)4)8-14(19)18-17-12-7-6-11(16)9-13(12)20-5/h6-7,9-10,17H,8H2,1-5H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide?
(3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide has a molecular weight of 282.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-(4-fluoro-2-methoxyphenyl)-3,4,4-trimethylpentanehydrazide is sourced from PubChem (CID 124881460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).