2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol

C16H15ClF2N2O4 — CID 133473075

IUPAC2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol
SMILESCC(O)(CNc1ccc([N+](=O)[O-])cc1OC(F)F)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClF2N2O4/c1-16(22,10-3-2-4-11(17)7-10)9-20-13-6-5-12(21(23)24)8-14(13)25-15(18)19/h2-8,15,20,22H,9H2,1H3
InChIKeyGXPZZASBLNXLIN-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.17
Rot. Bonds7

About 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol

2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol (PubChem CID 133473075) has the molecular formula C16H15ClF2N2O4 and a molecular weight of 372.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol
PubChem CID133473075
Molecular FormulaC16H15ClF2N2O4
Molecular Weight372.76 g/mol
Exact Mass372.07
IUPAC Name2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol
SMILESCC(O)(CNc1ccc([N+](=O)[O-])cc1OC(F)F)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClF2N2O4/c1-16(22,10-3-2-4-11(17)7-10)9-20-13-6-5-12(21(23)24)8-14(13)25-15(18)19/h2-8,15,20,22H,9H2,1H3
InChIKeyGXPZZASBLNXLIN-UHFFFAOYSA-N
XLogP4.17
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.17
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'}

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Related Compounds

N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 129398707
1-[4-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-nitrophenyl]ethanone
CID 133473129
N-[2-[2-(difluoromethoxy)-4-nitroanilino]ethyl]acetamide
CID 133467157
2-(difluoromethoxy)-N-[[4-(difluoromethyl)phenyl]methyl]-4-nitroaniline
CID 133474708
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472993
2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide
CID 90599943
1-[2-(difluoromethyl)-4-nitroanilino]-2-methylpropan-2-ol
CID 65108659
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
1-(2-methyl-5-nitrophenoxy)-2-phenylpropan-2-ol
CID 62373994
2-(difluoromethoxy)-N-[1-(furan-2-yl)ethyl]-4-nitroaniline
CID 133467487
1-[2-(difluoromethoxy)-4-methylphenyl]-3-(3-nitrophenyl)urea
CID 971966

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol (CID 133473075) is 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol is CC(O)(CNc1ccc([N+](=O)[O-])cc1OC(F)F)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol?
The InChIKey is GXPZZASBLNXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O4/c1-16(22,10-3-2-4-11(17)7-10)9-20-13-6-5-12(21(23)24)8-14(13)25-15(18)19/h2-8,15,20,22H,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol?
2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol has a molecular weight of 372.76 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol is sourced from PubChem (CID 133473075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).