2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

C18H17ClN2O5 — CID 78788516

IUPAC2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H17ClN2O5/c19-17-8-5-13(21(23)24)10-16(17)18(22)20-12-3-6-14(7-4-12)26-11-15-2-1-9-25-15/h3-8,10,15H,1-2,9,11H2,(H,20,22)
InChIKeyKDCQAIGGJSSCFY-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.06
Rot. Bonds6

About 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 78788516) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID78788516
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H17ClN2O5/c19-17-8-5-13(21(23)24)10-16(17)18(22)20-12-3-6-14(7-4-12)26-11-15-2-1-9-25-15/h3-8,10,15H,1-2,9,11H2,(H,20,22)
InChIKeyKDCQAIGGJSSCFY-UHFFFAOYSA-N
XLogP4.06
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
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

3,5-dinitro-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958009
2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 43057820
2-chloro-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-5-nitrobenzamide
CID 17362239
(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295896
(E)-3-(4-nitrophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17186947
2,4-dinitro-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]aniline
CID 8543319
(E)-3-(3-nitrophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17176026
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
2,3,5-trichloro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 112843659
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-chloro-5-nitro-N-(4-pentoxyphenyl)benzamide
CID 19171139

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 78788516) is 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is O=C(Nc1ccc(OCC2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is KDCQAIGGJSSCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c19-17-8-5-13(21(23)24)10-16(17)18(22)20-12-3-6-14(7-4-12)26-11-15-2-1-9-25-15/h3-8,10,15H,1-2,9,11H2,(H,20,22).
What are the key properties of 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 376.80 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 78788516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).