N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline

C9H8FIN2O2 — CID 66100425

IUPACN-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline
SMILESO=[N+]([O-])c1cc(I)c(F)cc1NC1CC1
InChIInChI=1S/C9H8FIN2O2/c10-6-3-8(12-5-1-2-5)9(13(14)15)4-7(6)11/h3-5,12H,1-2H2
InChIKeyGLJPEPXJBLBPAC-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.91
Rot. Bonds3

About N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline

N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline (PubChem CID 66100425) has the molecular formula C9H8FIN2O2 and a molecular weight of 322.08 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline
PubChem CID66100425
Molecular FormulaC9H8FIN2O2
Molecular Weight322.08 g/mol
Exact Mass321.96
IUPAC NameN-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline
SMILESO=[N+]([O-])c1cc(I)c(F)cc1NC1CC1
InChIInChI=1S/C9H8FIN2O2/c10-6-3-8(12-5-1-2-5)9(13(14)15)4-7(6)11/h3-5,12H,1-2H2
InChIKeyGLJPEPXJBLBPAC-UHFFFAOYSA-N
XLogP2.91
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.91
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

N-(5-fluoro-4-iodo-2-nitrophenyl)-1,1-dioxothian-4-amine
CID 66100233
cis-(1R,3S)-3-(5-fluoro-4-iodo-2-nitroanilino)cyclopentane-1-carboxylic acid
CID 106322050
5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
4-N-(4-bromo-5-fluoro-2-nitrophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 79111160
4-bromo-N-cyclobutyl-5-fluoro-2-nitroaniline
CID 66111259
2-N-cyclopropyl-4,5-difluorobenzene-1,2-diamine;N-cyclopropyl-4,5-difluoro-2-nitroaniline;methanol
CID 162118777
4-N-(4-chloro-5-fluoro-2-nitrophenyl)cyclohexane-1,4-diamine
CID 66079309
N-cyclopropyl-5-iodo-2-nitroaniline
CID 129089634
5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
CID 66100227
4-[(5-fluoro-4-iodo-2-nitroanilino)methyl]cyclohexan-1-ol
CID 106130136
4-(4-chloro-5-fluoro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 66078530
N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66086750

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline?
The IUPAC name of N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline (CID 66100425) is N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline.
What is the SMILES notation for N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline?
The canonical SMILES for N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline is O=[N+]([O-])c1cc(I)c(F)cc1NC1CC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline?
The InChIKey is GLJPEPXJBLBPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2O2/c10-6-3-8(12-5-1-2-5)9(13(14)15)4-7(6)11/h3-5,12H,1-2H2.
What are the key properties of N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline?
N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline has a molecular weight of 322.08 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline is sourced from PubChem (CID 66100425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).