N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide

C19H19FN2O4 — CID 19119950

IUPACN-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C19H19FN2O4/c20-16-7-3-14(4-8-16)12-21(13-18-2-1-11-26-18)19(23)15-5-9-17(10-6-15)22(24)25/h3-10,18H,1-2,11-13H2
InChIKeyBJSKBCMCIGATID-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.56
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide

N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 19119950) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID19119950
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C19H19FN2O4/c20-16-7-3-14(4-8-16)12-21(13-18-2-1-11-26-18)19(23)15-5-9-17(10-6-15)22(24)25/h3-10,18H,1-2,11-13H2
InChIKeyBJSKBCMCIGATID-UHFFFAOYSA-N
XLogP3.56
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
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-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 5155730
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3945157
(E)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3-(4-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 6023663
N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120160
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 19119996
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19119995
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 46994502
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5103992

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide (CID 19119950) is N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BJSKBCMCIGATID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-16-7-3-14(4-8-16)12-21(13-18-2-1-11-26-18)19(23)15-5-9-17(10-6-15)22(24)25/h3-10,18H,1-2,11-13H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide?
N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 358.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 19119950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).