N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide

C19H19FN2O5 — CID 47859013

IUPACN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NC(c2ccc(F)cc2)C2CCCO2)c1
InChIInChI=1S/C19H19FN2O5/c1-26-14-8-9-16(22(24)25)15(11-14)19(23)21-18(17-3-2-10-27-17)12-4-6-13(20)7-5-12/h4-9,11,17-18H,2-3,10H2,1H3,(H,21,23)
InChIKeyOXNLUONBZZHLGM-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.39
Rot. Bonds6

About N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide (PubChem CID 47859013) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide
PubChem CID47859013
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NC(c2ccc(F)cc2)C2CCCO2)c1
InChIInChI=1S/C19H19FN2O5/c1-26-14-8-9-16(22(24)25)15(11-14)19(23)21-18(17-3-2-10-27-17)12-4-6-13(20)7-5-12/h4-9,11,17-18H,2-3,10H2,1H3,(H,21,23)
InChIKeyOXNLUONBZZHLGM-UHFFFAOYSA-N
XLogP3.39
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.39
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-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 47848917
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide
CID 51951449
(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544021
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide?
The IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide (CID 47859013) is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide?
The canonical SMILES for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide is COc1ccc([N+](=O)[O-])c(C(=O)NC(c2ccc(F)cc2)C2CCCO2)c1.
What is the InChIKey of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide?
The InChIKey is OXNLUONBZZHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-26-14-8-9-16(22(24)25)15(11-14)19(23)21-18(17-3-2-10-27-17)12-4-6-13(20)7-5-12/h4-9,11,17-18H,2-3,10H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide?
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide has a molecular weight of 374.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide is sourced from PubChem (CID 47859013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).