(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate

C13H8FIN2O4 — CID 134086446

IUPAC(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])Oc1ccccc1I
InChIInChI=1S/C13H8FIN2O4/c14-8-5-6-10(11(7-8)17(19)20)16-13(18)21-12-4-2-1-3-9(12)15/h1-7H,(H,16,18)
InChIKeyHPMBZPCCPYWLNO-UHFFFAOYSA-N
MW402.12 g/mol
LogP3.95
Rot. Bonds3

About (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate

(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate (PubChem CID 134086446) has the molecular formula C13H8FIN2O4 and a molecular weight of 402.12 g/mol. Its IUPAC name is (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate.

Molecular Properties

Compound Name(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate
PubChem CID134086446
Molecular FormulaC13H8FIN2O4
Molecular Weight402.12 g/mol
Exact Mass401.95
IUPAC Name(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])Oc1ccccc1I
InChIInChI=1S/C13H8FIN2O4/c14-8-5-6-10(11(7-8)17(19)20)16-13(18)21-12-4-2-1-3-9(12)15/h1-7H,(H,16,18)
InChIKeyHPMBZPCCPYWLNO-UHFFFAOYSA-N
XLogP3.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.12
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-nitrophenyl)urea
CID 69476086
1-(4-fluoro-2-nitrophenyl)-3-(2-methoxyphenyl)thiourea
CID 19687362
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61260209
(4-fluoro-2-nitrophenyl) N-tert-butylcarbamate
CID 174510281
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
CID 103979841
4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 43346653
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 61179807

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate?
The IUPAC name of (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate (CID 134086446) is (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate.
What is the SMILES notation for (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate?
The canonical SMILES for (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate is O=C(Nc1ccc(F)cc1[N+](=O)[O-])Oc1ccccc1I.
What is the InChIKey of (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate?
The InChIKey is HPMBZPCCPYWLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O4/c14-8-5-6-10(11(7-8)17(19)20)16-13(18)21-12-4-2-1-3-9(12)15/h1-7H,(H,16,18).
What are the key properties of (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate?
(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate has a molecular weight of 402.12 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate is sourced from PubChem (CID 134086446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).