[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid

C13H11FN2O2 — CID 22224702

IUPAC[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid
SMILESNc1cc(-c2ccc(F)cc2)ccc1NC(=O)O
InChIInChI=1S/C13H11FN2O2/c14-10-4-1-8(2-5-10)9-3-6-12(11(15)7-9)16-13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeySMKOXQDKQSSROU-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.16
Rot. Bonds2

About [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid

[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid (PubChem CID 22224702) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid
PubChem CID22224702
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid
SMILESNc1cc(-c2ccc(F)cc2)ccc1NC(=O)O
InChIInChI=1S/C13H11FN2O2/c14-10-4-1-8(2-5-10)9-3-6-12(11(15)7-9)16-13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeySMKOXQDKQSSROU-UHFFFAOYSA-N
XLogP3.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
CID 22224953
[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid
CID 22224785
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
[2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid
CID 22448774
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid
CID 138680014
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-4-fluorophenyl)-2-phenoxypropanamide
CID 16789399
[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid
CID 22224911

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid (CID 22224702) is [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid is Nc1cc(-c2ccc(F)cc2)ccc1NC(=O)O.
What is the InChIKey of [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid?
The InChIKey is SMKOXQDKQSSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-4-1-8(2-5-10)9-3-6-12(11(15)7-9)16-13(17)18/h1-7,16H,15H2,(H,17,18).
What are the key properties of [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid?
[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid has a molecular weight of 246.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-fluorophenyl)phenyl]carbamic acid is sourced from PubChem (CID 22224702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).