2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline

C19H22FN3O4 — CID 48557266

IUPAC2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCc2cccc(OCCN3CCOCC3)c2)c(F)c1
InChIInChI=1S/C19H22FN3O4/c20-18-13-16(23(24)25)4-5-19(18)21-14-15-2-1-3-17(12-15)27-11-8-22-6-9-26-10-7-22/h1-5,12-13,21H,6-11,14H2
InChIKeyGBWYJXJSXCLHPY-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.06
Rot. Bonds8

About 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline

2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline (PubChem CID 48557266) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline
PubChem CID48557266
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCc2cccc(OCCN3CCOCC3)c2)c(F)c1
InChIInChI=1S/C19H22FN3O4/c20-18-13-16(23(24)25)4-5-19(18)21-14-15-2-1-3-17(12-15)27-11-8-22-6-9-26-10-7-22/h1-5,12-13,21H,6-11,14H2
InChIKeyGBWYJXJSXCLHPY-UHFFFAOYSA-N
XLogP3.06
TPSA76.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-nitro-1,3-benzothiazol-2-amine
CID 56574077
N-[(3-ethoxyphenyl)methyl]-2-fluoro-4-nitroaniline
CID 60872206
[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-nitrophenyl]-phenylmethanone
CID 52764738
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoro-4-nitroaniline
CID 115526428
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline
CID 58289700
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111844759
4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine
CID 118961391
2-fluoro-4-nitro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410071

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline?
The IUPAC name of 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline (CID 48557266) is 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline.
What is the SMILES notation for 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline?
The canonical SMILES for 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline is O=[N+]([O-])c1ccc(NCc2cccc(OCCN3CCOCC3)c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline?
The InChIKey is GBWYJXJSXCLHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c20-18-13-16(23(24)25)4-5-19(18)21-14-15-2-1-3-17(12-15)27-11-8-22-6-9-26-10-7-22/h1-5,12-13,21H,6-11,14H2.
What are the key properties of 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline?
2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline has a molecular weight of 375.40 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline is sourced from PubChem (CID 48557266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).