2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide

C14H15ClN2O4 — CID 103864624

IUPAC2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H15ClN2O4/c15-11-7-9(17(19)20)3-4-10(11)14(18)16-12-5-6-21-13(12)8-1-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,16,18)
InChIKeyVNVQHGSKBSMROP-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide

2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide (PubChem CID 103864624) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide
PubChem CID103864624
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H15ClN2O4/c15-11-7-9(17(19)20)3-4-10(11)14(18)16-12-5-6-21-13(12)8-1-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,16,18)
InChIKeyVNVQHGSKBSMROP-UHFFFAOYSA-N
XLogP2.55
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide 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

2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
CID 103864661
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-nitrobenzamide
CID 11892754
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
CID 64723347
2-chloro-4-nitro-N-(2-oxothiolan-3-yl)benzamide
CID 3113374
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-nitrobenzamide
CID 106122720
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
2-chloro-N-(1,4-dioxan-2-ylmethyl)-4-nitrobenzamide
CID 47296658
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitrobenzamide
CID 103742297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide (CID 103864624) is 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide is O=C(NC1CCOC1C1CC1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide?
The InChIKey is VNVQHGSKBSMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-11-7-9(17(19)20)3-4-10(11)14(18)16-12-5-6-21-13(12)8-1-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,16,18).
What are the key properties of 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide?
2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide has a molecular weight of 310.74 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide is sourced from PubChem (CID 103864624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).