(2-amino-4-fluorophenyl)carbamic acid

C7H7FN2O2 — CID 22318019

IUPAC(2-amino-4-fluorophenyl)carbamic acid
SMILESNc1cc(F)ccc1NC(=O)O
InChIInChI=1S/C7H7FN2O2/c8-4-1-2-6(5(9)3-4)10-7(11)12/h1-3,10H,9H2,(H,11,12)
InChIKeyWSDOBZDGNHRFFO-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.50
Rot. Bonds1

About (2-amino-4-fluorophenyl)carbamic acid

(2-amino-4-fluorophenyl)carbamic acid (PubChem CID 22318019) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)carbamic acid
PubChem CID22318019
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name(2-amino-4-fluorophenyl)carbamic acid
SMILESNc1cc(F)ccc1NC(=O)O
InChIInChI=1S/C7H7FN2O2/c8-4-1-2-6(5(9)3-4)10-7(11)12/h1-3,10H,9H2,(H,11,12)
InChIKeyWSDOBZDGNHRFFO-UHFFFAOYSA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-4-fluorophenyl)carbamic acid 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

[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid
CID 22224702
[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
CID 22224953
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-4-fluorophenyl)-2-phenoxypropanamide
CID 16789399
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
CID 82004220

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)carbamic acid?
The IUPAC name of (2-amino-4-fluorophenyl)carbamic acid (CID 22318019) is (2-amino-4-fluorophenyl)carbamic acid.
What is the SMILES notation for (2-amino-4-fluorophenyl)carbamic acid?
The canonical SMILES for (2-amino-4-fluorophenyl)carbamic acid is Nc1cc(F)ccc1NC(=O)O.
What is the InChIKey of (2-amino-4-fluorophenyl)carbamic acid?
The InChIKey is WSDOBZDGNHRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-4-1-2-6(5(9)3-4)10-7(11)12/h1-3,10H,9H2,(H,11,12).
What are the key properties of (2-amino-4-fluorophenyl)carbamic acid?
(2-amino-4-fluorophenyl)carbamic acid has a molecular weight of 170.14 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)carbamic acid is sourced from PubChem (CID 22318019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).