N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline

C13H10FIN2O2 — CID 43443611

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline
SMILESO=[N+]([O-])c1ccc(F)cc1CNc1ccccc1I
InChIInChI=1S/C13H10FIN2O2/c14-10-5-6-13(17(18)19)9(7-10)8-16-12-4-2-1-3-11(12)15/h1-7,16H,8H2
InChIKeyPLVVBOCAOALFOI-UHFFFAOYSA-N
MW372.14 g/mol
LogP3.95
Rot. Bonds4

About N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline

N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline (PubChem CID 43443611) has the molecular formula C13H10FIN2O2 and a molecular weight of 372.14 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline
PubChem CID43443611
Molecular FormulaC13H10FIN2O2
Molecular Weight372.14 g/mol
Exact Mass371.98
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline
SMILESO=[N+]([O-])c1ccc(F)cc1CNc1ccccc1I
InChIInChI=1S/C13H10FIN2O2/c14-10-5-6-13(17(18)19)9(7-10)8-16-12-4-2-1-3-11(12)15/h1-7,16H,8H2
InChIKeyPLVVBOCAOALFOI-UHFFFAOYSA-N
XLogP3.95
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443560
N-[(4-chloro-2-nitrophenyl)methyl]-2-iodoaniline
CID 62100584
2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
CID 28574528
N-[(2,5-difluorophenyl)methyl]-5-fluoro-4-iodo-2-nitroaniline
CID 66101826
N-[(5-fluoro-2-nitrophenyl)methyl]-2,6-dimethylaniline
CID 62332074
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylmethanamine
CID 43443505
2-chloro-N-[(5-fluoro-2-nitrophenyl)methyl]-4-methylaniline
CID 43443603
4-fluoro-2-[(5-fluoro-2-nitroanilino)methyl]phenol
CID 107694527
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-nitroaniline
CID 62376249
3,4-difluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443548
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline (CID 43443611) is N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline is O=[N+]([O-])c1ccc(F)cc1CNc1ccccc1I.
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline?
The InChIKey is PLVVBOCAOALFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O2/c14-10-5-6-13(17(18)19)9(7-10)8-16-12-4-2-1-3-11(12)15/h1-7,16H,8H2.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline?
N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline has a molecular weight of 372.14 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline is sourced from PubChem (CID 43443611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).