(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate

C14H11FN2O4 — CID 134125017

IUPAC(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11FN2O4/c15-11-2-1-3-12(8-11)16-14(18)21-9-10-4-6-13(7-5-10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyAEKSYSGGYHBJHR-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.48
Rot. Bonds4

About (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate

(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate (PubChem CID 134125017) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
PubChem CID134125017
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11FN2O4/c15-11-2-1-3-12(8-11)16-14(18)21-9-10-4-6-13(7-5-10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyAEKSYSGGYHBJHR-UHFFFAOYSA-N
XLogP3.48
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.48
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'}

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Related Compounds

benzyl N-(3-fluoro-5-nitrophenyl)carbamate
CID 125116358
(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
(4-nitrophenyl)methyl N-dibenzothiophen-2-ylcarbamate
CID 69315801
benzyl N-(3,5-difluorophenyl)carbamate;N-(3,5-difluorophenyl)nitramide
CID 162243406
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
CID 118367349
(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 3455489
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
(4-nitrophenyl)methyl N-[4-(chlorodisulfanyl)phenyl]carbamate
CID 21150662
(4-nitrophenyl)methyl 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961661

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate?
The IUPAC name of (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate (CID 134125017) is (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate?
The InChIKey is AEKSYSGGYHBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-11-2-1-3-12(8-11)16-14(18)21-9-10-4-6-13(7-5-10)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate?
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate has a molecular weight of 290.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 134125017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).