2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline

C15H13IN2O2 — CID 66095333

IUPAC2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline
SMILESO=[N+]([O-])c1ccc(NC2CC2c2ccccc2)c(I)c1
InChIInChI=1S/C15H13IN2O2/c16-13-8-11(18(19)20)6-7-14(13)17-15-9-12(15)10-4-2-1-3-5-10/h1-8,12,15,17H,9H2
InChIKeyYVWSQISYZJIWGB-UHFFFAOYSA-N
MW380.19 g/mol
LogP4.17
Rot. Bonds4

About 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline

2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline (PubChem CID 66095333) has the molecular formula C15H13IN2O2 and a molecular weight of 380.19 g/mol. Its IUPAC name is 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline.

Molecular Properties

Compound Name2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline
PubChem CID66095333
Molecular FormulaC15H13IN2O2
Molecular Weight380.19 g/mol
Exact Mass380.00
IUPAC Name2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline
SMILESO=[N+]([O-])c1ccc(NC2CC2c2ccccc2)c(I)c1
InChIInChI=1S/C15H13IN2O2/c16-13-8-11(18(19)20)6-7-14(13)17-15-9-12(15)10-4-2-1-3-5-10/h1-8,12,15,17H,9H2
InChIKeyYVWSQISYZJIWGB-UHFFFAOYSA-N
XLogP4.17
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 54.17
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

3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 62476705
2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
CID 115593125
4-N-(2-iodo-4-nitrophenyl)cyclohexane-1,4-diamine
CID 66093467
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
N-(2-iodo-4-nitrophenyl)-1,1-dioxothian-3-amine
CID 66095751
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-iodo-4-nitroaniline
CID 66095323
trans-(1S,2S)-N-(2-chloro-5-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903167
6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80902156
3-bromo-4-[(2-phenylcyclopropyl)amino]benzonitrile
CID 82796868
3-chloro-4-[(2-phenylcyclopropyl)amino]benzonitrile
CID 63093101
3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine
CID 103519332

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline?
The IUPAC name of 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline (CID 66095333) is 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline.
What is the SMILES notation for 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline?
The canonical SMILES for 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline is O=[N+]([O-])c1ccc(NC2CC2c2ccccc2)c(I)c1.
What is the InChIKey of 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline?
The InChIKey is YVWSQISYZJIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O2/c16-13-8-11(18(19)20)6-7-14(13)17-15-9-12(15)10-4-2-1-3-5-10/h1-8,12,15,17H,9H2.
What are the key properties of 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline?
2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline has a molecular weight of 380.19 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline is sourced from PubChem (CID 66095333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).