[4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid

C16H15FN2O6 — CID 22448763

IUPAC[4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid
SMILESCOCCOc1cc(NC(=O)O)c([N+](=O)[O-])cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O6/c1-24-6-7-25-15-9-13(18-16(20)21)14(19(22)23)8-12(15)10-2-4-11(17)5-3-10/h2-5,8-9,18H,6-7H2,1H3,(H,20,21)
InChIKeySVBHRYXERQBMFE-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.52
Rot. Bonds7

About [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid

[4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid (PubChem CID 22448763) has the molecular formula C16H15FN2O6 and a molecular weight of 350.30 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid
PubChem CID22448763
Molecular FormulaC16H15FN2O6
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name[4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid
SMILESCOCCOc1cc(NC(=O)O)c([N+](=O)[O-])cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O6/c1-24-6-7-25-15-9-13(18-16(20)21)14(19(22)23)8-12(15)10-2-4-11(17)5-3-10/h2-5,8-9,18H,6-7H2,1H3,(H,20,21)
InChIKeySVBHRYXERQBMFE-UHFFFAOYSA-N
XLogP3.52
TPSA110.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-4-(4-fluorophenyl)-2-nitrophenyl]carbamic acid
CID 22448711
tert-butyl N-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]carbamate
CID 156778145
[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid
CID 22224911
N-(4,5-diethoxy-2-nitrophenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78829003
tert-butyl N-[4-iodo-5-(2-methoxyethoxy)-2-nitrophenyl]carbamate
CID 70002363
2-fluoro-5-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid
CID 104699239
4-fluoro-5-[2-(2-methoxyethoxy)ethoxy]-2-nitrobenzoic acid
CID 104560497
4-fluoro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-nitroaniline
CID 55830532
4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid
CID 23107612
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 26721757
ethyl 3-(5-fluoro-2-nitroanilino)-3-oxopropanoate
CID 58328051
2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide
CID 60567354

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid?
The IUPAC name of [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid (CID 22448763) is [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid?
The canonical SMILES for [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid is COCCOc1cc(NC(=O)O)c([N+](=O)[O-])cc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid?
The InChIKey is SVBHRYXERQBMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O6/c1-24-6-7-25-15-9-13(18-16(20)21)14(19(22)23)8-12(15)10-2-4-11(17)5-3-10/h2-5,8-9,18H,6-7H2,1H3,(H,20,21).
What are the key properties of [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid?
[4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid has a molecular weight of 350.30 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid is sourced from PubChem (CID 22448763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).