N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide

C18H16N4O5 — CID 11654329

IUPACN'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide
SMILESNC(Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H16N4O5/c19-14(10-12-6-3-5-11-4-1-2-7-13(11)12)17(23)20-21-18(24)15-8-9-16(27-15)22(25)26/h1-9,14H,10,19H2,(H,20,23)(H,21,24)
InChIKeyGOBHAQVCEXXABF-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.67
Rot. Bonds5

About N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide

N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide (PubChem CID 11654329) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide
PubChem CID11654329
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide
SMILESNC(Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H16N4O5/c19-14(10-12-6-3-5-11-4-1-2-7-13(11)12)17(23)20-21-18(24)15-8-9-16(27-15)22(25)26/h1-9,14H,10,19H2,(H,20,23)(H,21,24)
InChIKeyGOBHAQVCEXXABF-UHFFFAOYSA-N
XLogP1.67
TPSA140.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.67
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

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-[[3-naphthalen-1-yl-1-[2-(5-nitrofuran-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 11600003
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 17145985
1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
CID 134117137
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 9454907
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide (CID 11654329) is N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide is NC(Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide?
The InChIKey is GOBHAQVCEXXABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c19-14(10-12-6-3-5-11-4-1-2-7-13(11)12)17(23)20-21-18(24)15-8-9-16(27-15)22(25)26/h1-9,14H,10,19H2,(H,20,23)(H,21,24).
What are the key properties of N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide?
N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide has a molecular weight of 368.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 11654329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).