naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate

C17H11FN2O4 — CID 4307047

IUPACnaphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H11FN2O4/c18-15-8-6-13(10-16(15)20(22)23)19-17(21)24-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,21)
InChIKeyKUETUIKCHMTYNT-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.50
Rot. Bonds3

About naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate

naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate (PubChem CID 4307047) has the molecular formula C17H11FN2O4 and a molecular weight of 326.28 g/mol. Its IUPAC name is naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
PubChem CID4307047
Molecular FormulaC17H11FN2O4
Molecular Weight326.28 g/mol
Exact Mass326.07
IUPAC Namenaphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H11FN2O4/c18-15-8-6-13(10-16(15)20(22)23)19-17(21)24-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,21)
InChIKeyKUETUIKCHMTYNT-UHFFFAOYSA-N
XLogP4.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9077002
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
CID 79345647
N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 72684236
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
6-bromo-N-(4-fluoro-3-nitrophenyl)pyridine-2-carboxamide
CID 103874165
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
The IUPAC name of naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate (CID 4307047) is naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate.
What is the SMILES notation for naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
The canonical SMILES for naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
The InChIKey is KUETUIKCHMTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O4/c18-15-8-6-13(10-16(15)20(22)23)19-17(21)24-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,21).
What are the key properties of naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate?
naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate has a molecular weight of 326.28 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate is sourced from PubChem (CID 4307047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).