2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide

C15H16N4O5 — CID 9156552

IUPAC2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O5/c1-8-6-11(9(2)24-8)15(21)18-17-14(20)10-4-5-12(16-3)13(7-10)19(22)23/h4-7,16H,1-3H3,(H,17,20)(H,18,21)
InChIKeyCOVXLBYCAIUQOX-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.92
Rot. Bonds4

About 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide (PubChem CID 9156552) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
PubChem CID9156552
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O5/c1-8-6-11(9(2)24-8)15(21)18-17-14(20)10-4-5-12(16-3)13(7-10)19(22)23/h4-7,16H,1-3H3,(H,17,20)(H,18,21)
InChIKeyCOVXLBYCAIUQOX-UHFFFAOYSA-N
XLogP1.92
TPSA126.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.92
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'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 26820570
2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide
CID 4808584
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
4-(methylamino)-3-nitro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 46652855
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55135799

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide (CID 9156552) is 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide is CNc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1[N+](=O)[O-].
What is the InChIKey of 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide?
The InChIKey is COVXLBYCAIUQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-8-6-11(9(2)24-8)15(21)18-17-14(20)10-4-5-12(16-3)13(7-10)19(22)23/h4-7,16H,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide has a molecular weight of 332.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide is sourced from PubChem (CID 9156552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).