4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide

C17H18N4O5 — CID 9157370

IUPAC4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O5/c1-11-5-3-4-6-15(11)26-10-16(22)19-20-17(23)12-7-8-13(18-2)14(9-12)21(24)25/h3-9,18H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyANAJSQKAXCLVNO-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.78
Rot. Bonds6

About 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide

4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide (PubChem CID 9157370) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
PubChem CID9157370
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O5/c1-11-5-3-4-6-15(11)26-10-16(22)19-20-17(23)12-7-8-13(18-2)14(9-12)21(24)25/h3-9,18H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyANAJSQKAXCLVNO-UHFFFAOYSA-N
XLogP1.78
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
CID 9150351
N'-[2-(2-methylphenoxy)acetyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 24979129
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 9158207
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711
4-bromo-N-[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 3091554
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide?
The IUPAC name of 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide (CID 9157370) is 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide is CNc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide?
The InChIKey is ANAJSQKAXCLVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-11-5-3-4-6-15(11)26-10-16(22)19-20-17(23)12-7-8-13(18-2)14(9-12)21(24)25/h3-9,18H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide?
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide has a molecular weight of 358.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 9157370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).