4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide

C11H14N4O3 — CID 43599311

IUPAC4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NC2CC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O3/c12-7-4-8(5-7)14-9-2-1-6(11(13)16)3-10(9)15(17)18/h1-3,7-8,14H,4-5,12H2,(H2,13,16)
InChIKeyCFWUBRFQOASGHJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.60
Rot. Bonds4

About 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide

4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide (PubChem CID 43599311) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
PubChem CID43599311
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NC2CC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O3/c12-7-4-8(5-7)14-9-2-1-6(11(13)16)3-10(9)15(17)18/h1-3,7-8,14H,4-5,12H2,(H2,13,16)
InChIKeyCFWUBRFQOASGHJ-UHFFFAOYSA-N
XLogP0.60
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(3,4-dimethylcyclohexyl)amino]-3-nitrobenzamide
CID 64743861
4-[(3-methylsulfanylcyclopentyl)amino]-3-nitrobenzamide
CID 103704122
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
CID 43599343
4-[(2-methyloxan-4-yl)amino]-3-nitrobenzamide
CID 103889115
3-nitro-4-(oxan-3-ylamino)benzamide
CID 55189150
4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 24592331
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide
CID 64669798
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
3-(cyclohexylamino)-4-nitrobenzamide
CID 82994813
N-(3-aminocyclobutyl)-4-methyl-3-nitrobenzamide
CID 43595120
4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide
CID 103863930
(4-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone;hydrochloride
CID 119374093

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide?
The IUPAC name of 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide (CID 43599311) is 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide.
What is the SMILES notation for 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide?
The canonical SMILES for 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide is NC(=O)c1ccc(NC2CC(N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide?
The InChIKey is CFWUBRFQOASGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-7-4-8(5-7)14-9-2-1-6(11(13)16)3-10(9)15(17)18/h1-3,7-8,14H,4-5,12H2,(H2,13,16).
What are the key properties of 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide?
4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide has a molecular weight of 250.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide is sourced from PubChem (CID 43599311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).