(4-fluoro-3-nitrophenyl)carbamic acid

C7H5FN2O4 — CID 22238368

IUPAC(4-fluoro-3-nitrophenyl)carbamic acid
SMILESO=C(O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5FN2O4/c8-5-2-1-4(9-7(11)12)3-6(5)10(13)14/h1-3,9H,(H,11,12)
InChIKeyBWLAJCGCLPFOIK-UHFFFAOYSA-N
MW200.12 g/mol
LogP1.82
Rot. Bonds2

About (4-fluoro-3-nitrophenyl)carbamic acid

(4-fluoro-3-nitrophenyl)carbamic acid (PubChem CID 22238368) has the molecular formula C7H5FN2O4 and a molecular weight of 200.12 g/mol. Its IUPAC name is (4-fluoro-3-nitrophenyl)carbamic acid.

Molecular Properties

Compound Name(4-fluoro-3-nitrophenyl)carbamic acid
PubChem CID22238368
Molecular FormulaC7H5FN2O4
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name(4-fluoro-3-nitrophenyl)carbamic acid
SMILESO=C(O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5FN2O4/c8-5-2-1-4(9-7(11)12)3-6(5)10(13)14/h1-3,9H,(H,11,12)
InChIKeyBWLAJCGCLPFOIK-UHFFFAOYSA-N
XLogP1.82
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
CID 26696924
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-nitrophenyl)carbamic acid?
The IUPAC name of (4-fluoro-3-nitrophenyl)carbamic acid (CID 22238368) is (4-fluoro-3-nitrophenyl)carbamic acid.
What is the SMILES notation for (4-fluoro-3-nitrophenyl)carbamic acid?
The canonical SMILES for (4-fluoro-3-nitrophenyl)carbamic acid is O=C(O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (4-fluoro-3-nitrophenyl)carbamic acid?
The InChIKey is BWLAJCGCLPFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O4/c8-5-2-1-4(9-7(11)12)3-6(5)10(13)14/h1-3,9H,(H,11,12).
What are the key properties of (4-fluoro-3-nitrophenyl)carbamic acid?
(4-fluoro-3-nitrophenyl)carbamic acid has a molecular weight of 200.12 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-nitrophenyl)carbamic acid is sourced from PubChem (CID 22238368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).