1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol

C15H13Cl2FN2O4 — CID 133340770

IUPAC1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol
SMILESCOc1cc(F)c([N+](=O)[O-])c(NCC(O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl2FN2O4/c1-24-8-5-11(18)15(20(22)23)12(6-8)19-7-13(21)14-9(16)3-2-4-10(14)17/h2-6,13,19,21H,7H2,1H3
InChIKeyZKMRFKKEPVRDAG-UHFFFAOYSA-N
MW375.18 g/mol
LogP4.19
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol

1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol (PubChem CID 133340770) has the molecular formula C15H13Cl2FN2O4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol
PubChem CID133340770
Molecular FormulaC15H13Cl2FN2O4
Molecular Weight375.18 g/mol
Exact Mass374.02
IUPAC Name1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol
SMILESCOc1cc(F)c([N+](=O)[O-])c(NCC(O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl2FN2O4/c1-24-8-5-11(18)15(20(22)23)12(6-8)19-7-13(21)14-9(16)3-2-4-10(14)17/h2-6,13,19,21H,7H2,1H3
InChIKeyZKMRFKKEPVRDAG-UHFFFAOYSA-N
XLogP4.19
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 54.19
H-Bond Donors ≤ 52
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'}

Analyze 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-5-methoxy-2-nitroanilino)-1-(furan-2-yl)ethanol
CID 71982332
3-fluoro-N-[2-(4-fluorophenyl)-2-methoxyethyl]-5-methoxy-2-nitroaniline
CID 133341378
1-(3,5-dichlorophenyl)-2-(3-fluoro-2-nitroanilino)ethanol
CID 133308203
2-fluoro-4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]phenol
CID 133340541
1-N-(3-fluoro-5-methoxy-2-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 133425148
[3-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]oxetan-3-yl]methanol
CID 133399183
3,5-difluoro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 115507748
1-(3-chloro-2-nitroanilino)propan-2-ol
CID 104835712
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448
2-(5-chloro-2-nitroanilino)-1-(4-methoxyphenyl)ethanol
CID 119040025
(1S)-2-(5-chloro-2-nitroanilino)-1-(4-methoxyphenyl)ethanol
CID 100611705
4-fluoro-3-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]benzonitrile
CID 133341137

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol (CID 133340770) is 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol is COc1cc(F)c([N+](=O)[O-])c(NCC(O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol?
The InChIKey is ZKMRFKKEPVRDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O4/c1-24-8-5-11(18)15(20(22)23)12(6-8)19-7-13(21)14-9(16)3-2-4-10(14)17/h2-6,13,19,21H,7H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol?
1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol has a molecular weight of 375.18 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol is sourced from PubChem (CID 133340770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).