2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide

C14H15ClN2O4 — CID 103864661

IUPAC2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H15ClN2O4/c15-11-4-3-9(17(19)20)7-10(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)
InChIKeyORCDFUBANLTIAK-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide

2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide (PubChem CID 103864661) 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)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
PubChem CID103864661
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H15ClN2O4/c15-11-4-3-9(17(19)20)7-10(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)
InChIKeyORCDFUBANLTIAK-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'}

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Related Compounds

2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide
CID 103864624
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-nitrobenzamide
CID 11892754
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide
CID 108742234
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
CID 103864687
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloro-5-nitrobenzamide
CID 98258780
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-4-nitrobenzoic acid
CID 126384634

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide (CID 103864661) is 2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide is O=C(NC1CCOC1C1CC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide?
The InChIKey is ORCDFUBANLTIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-11-4-3-9(17(19)20)7-10(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)-5-nitrobenzamide?
2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-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)-5-nitrobenzamide is sourced from PubChem (CID 103864661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).