N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide

C18H17ClN2O5 — CID 40771307

IUPACN-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17ClN2O5/c19-12-7-8-17(26-11-13-4-3-9-25-13)15(10-12)20-18(22)14-5-1-2-6-16(14)21(23)24/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,22)/t13-/m1/s1
InChIKeyGIZKEWLZDPBGEI-CYBMUJFWSA-N
MW376.80 g/mol
LogP4.06
Rot. Bonds6

About N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide

N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide (PubChem CID 40771307) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide
PubChem CID40771307
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC NameN-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17ClN2O5/c19-12-7-8-17(26-11-13-4-3-9-25-13)15(10-12)20-18(22)14-5-1-2-6-16(14)21(23)24/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,22)/t13-/m1/s1
InChIKeyGIZKEWLZDPBGEI-CYBMUJFWSA-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

N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
CID 94645848
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
2-[(2-nitrobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42426628
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
oxolan-2-ylmethyl 5-chloro-2-nitrobenzoate
CID 60643030
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 99823794
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide?
The IUPAC name of N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide (CID 40771307) is N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide is O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide?
The InChIKey is GIZKEWLZDPBGEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c19-12-7-8-17(26-11-13-4-3-9-25-13)15(10-12)20-18(22)14-5-1-2-6-16(14)21(23)24/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide?
N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide 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 N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide is sourced from PubChem (CID 40771307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).