2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide

C16H17FN4O4 — CID 142979326

IUPAC2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide
SMILESCOc1ccc(CCN(N)C(=O)c2ccc([N+](=O)[O-])cc2N)c(F)c1
InChIInChI=1S/C16H17FN4O4/c1-25-12-4-2-10(14(17)9-12)6-7-20(19)16(22)13-5-3-11(21(23)24)8-15(13)18/h2-5,8-9H,6-7,18-19H2,1H3
InChIKeyMGGGBXSOUSQGIZ-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.88
Rot. Bonds6

About 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide

2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide (PubChem CID 142979326) has the molecular formula C16H17FN4O4 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound Name2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide
PubChem CID142979326
Molecular FormulaC16H17FN4O4
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide
SMILESCOc1ccc(CCN(N)C(=O)c2ccc([N+](=O)[O-])cc2N)c(F)c1
InChIInChI=1S/C16H17FN4O4/c1-25-12-4-2-10(14(17)9-12)6-7-20(19)16(22)13-5-3-11(21(23)24)8-15(13)18/h2-5,8-9H,6-7,18-19H2,1H3
InChIKeyMGGGBXSOUSQGIZ-UHFFFAOYSA-N
XLogP1.88
TPSA124.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide
CID 145125005
2-amino-N-but-3-ynyl-4-nitrobenzohydrazide
CID 145124974
(2-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7490761
2-amino-N-[(Z)-3-amino-4-(N-amino-4-tert-butylanilino)but-3-enyl]-4-nitrobenzohydrazide
CID 145125040
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863532
2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 97087035
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitrobenzamide
CID 133275327
2-amino-4-nitrobenzohydrazide
CID 3575645
(3,5-difluoro-4-nitrophenyl) 2-fluoro-4-methoxybenzoate;ethane
CID 90828965

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide?
The IUPAC name of 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide (CID 142979326) is 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide.
What is the SMILES notation for 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide?
The canonical SMILES for 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide is COc1ccc(CCN(N)C(=O)c2ccc([N+](=O)[O-])cc2N)c(F)c1.
What is the InChIKey of 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide?
The InChIKey is MGGGBXSOUSQGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4/c1-25-12-4-2-10(14(17)9-12)6-7-20(19)16(22)13-5-3-11(21(23)24)8-15(13)18/h2-5,8-9H,6-7,18-19H2,1H3.
What are the key properties of 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide?
2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide has a molecular weight of 348.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 142979326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).