4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C15H19N3O4 — CID 7923143

IUPAC4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O4/c19-15(16-9-12-2-1-7-22-12)10-3-6-13(17-11-4-5-11)14(8-10)18(20)21/h3,6,8,11-12,17H,1-2,4-5,7,9H2,(H,16,19)/t12-/m1/s1
InChIKeySNVFQJJVXUPCPK-GFCCVEGCSA-N
MW305.33 g/mol
LogP2.08
Rot. Bonds6

About 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 7923143) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID7923143
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O4/c19-15(16-9-12-2-1-7-22-12)10-3-6-13(17-11-4-5-11)14(8-10)18(20)21/h3,6,8,11-12,17H,1-2,4-5,7,9H2,(H,16,19)/t12-/m1/s1
InChIKeySNVFQJJVXUPCPK-GFCCVEGCSA-N
XLogP2.08
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
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'}

Analyze 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfanyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 17395490
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylsulfanylbenzamide
CID 40623896
4-(cyclopropylamino)-N-[(3-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 111460227
3-nitro-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 15995929
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817
3-nitro-4-[[(2S)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 41013296
4-(cyclopropylamino)-N-[(1-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 111485738
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
ethyl 2-[2-nitro-4-(oxolan-2-ylmethylcarbamoyl)phenyl]sulfanylacetate
CID 3442422
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 7923143) is 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is SNVFQJJVXUPCPK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-15(16-9-12-2-1-7-22-12)10-3-6-13(17-11-4-5-11)14(8-10)18(20)21/h3,6,8,11-12,17H,1-2,4-5,7,9H2,(H,16,19)/t12-/m1/s1.
What are the key properties of 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 305.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 7923143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).