4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline

C15H14F2IN — CID 114871694

IUPAC4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
SMILESCCC(Nc1ccc(F)cc1I)c1cccc(F)c1
InChIInChI=1S/C15H14F2IN/c1-2-14(10-4-3-5-11(16)8-10)19-15-7-6-12(17)9-13(15)18/h3-9,14,19H,2H2,1H3
InChIKeyTUDNEZDRCASZCC-UHFFFAOYSA-N
MW373.18 g/mol
LogP5.13
Rot. Bonds4

About 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline

4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline (PubChem CID 114871694) has the molecular formula C15H14F2IN and a molecular weight of 373.18 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
PubChem CID114871694
Molecular FormulaC15H14F2IN
Molecular Weight373.18 g/mol
Exact Mass373.01
IUPAC Name4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
SMILESCCC(Nc1ccc(F)cc1I)c1cccc(F)c1
InChIInChI=1S/C15H14F2IN/c1-2-14(10-4-3-5-11(16)8-10)19-15-7-6-12(17)9-13(15)18/h3-9,14,19H,2H2,1H3
InChIKeyTUDNEZDRCASZCC-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.18
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
4-bromo-2,3-dichloro-N-[1-(3-fluorophenyl)propyl]aniline
CID 107787553
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469
2-fluoro-6-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871194
3-bromo-4-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871296
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline
CID 79759306
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
CID 114871410
3-(4-fluoro-2-iodoanilino)-3-phenylpropanenitrile
CID 79769594
4-chloro-2-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871222
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline?
The IUPAC name of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline (CID 114871694) is 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline.
What is the SMILES notation for 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline?
The canonical SMILES for 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline is CCC(Nc1ccc(F)cc1I)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline?
The InChIKey is TUDNEZDRCASZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2IN/c1-2-14(10-4-3-5-11(16)8-10)19-15-7-6-12(17)9-13(15)18/h3-9,14,19H,2H2,1H3.
What are the key properties of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline?
4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline has a molecular weight of 373.18 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline is sourced from PubChem (CID 114871694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).