4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C18H17ClN2O5 — CID 1303423

IUPAC4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H17ClN2O5/c19-16-10-13(21(23)24)5-8-17(16)26-14-6-3-12(4-7-14)18(22)20-11-15-2-1-9-25-15/h3-8,10,15H,1-2,9,11H2,(H,20,22)/t15-/m1/s1
InChIKeyYXIHCHZKQAYGIS-OAHLLOKOSA-N
MW376.80 g/mol
LogP3.95
Rot. Bonds6

About 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1303423) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID1303423
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H17ClN2O5/c19-16-10-13(21(23)24)5-8-17(16)26-14-6-3-12(4-7-14)18(22)20-11-15-2-1-9-25-15/h3-8,10,15H,1-2,9,11H2,(H,20,22)/t15-/m1/s1
InChIKeyYXIHCHZKQAYGIS-OAHLLOKOSA-N
XLogP3.95
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 ≤ 53.95
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

2-(2-chloro-4-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4780067
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
3-[4-(3,5-dinitrophenoxy)phenyl]-N-(oxolan-2-ylmethyl)propanamide
CID 2861082
(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7354724
6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 714835
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 78788516
4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205794

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1303423) is 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YXIHCHZKQAYGIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c19-16-10-13(21(23)24)5-8-17(16)26-14-6-3-12(4-7-14)18(22)20-11-15-2-1-9-25-15/h3-8,10,15H,1-2,9,11H2,(H,20,22)/t15-/m1/s1.
What are the key properties of 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 376.80 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1303423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).