[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid

C13H10F2N2O2 — CID 22224953

IUPAC[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
SMILESNc1cc(-c2cc(F)ccc2F)ccc1NC(=O)O
InChIInChI=1S/C13H10F2N2O2/c14-8-2-3-10(15)9(6-8)7-1-4-12(11(16)5-7)17-13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyRAELZZBCZLAYDS-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.30
Rot. Bonds2

About [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid

[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid (PubChem CID 22224953) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
PubChem CID22224953
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
SMILESNc1cc(-c2cc(F)ccc2F)ccc1NC(=O)O
InChIInChI=1S/C13H10F2N2O2/c14-8-2-3-10(15)9(6-8)7-1-4-12(11(16)5-7)17-13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyRAELZZBCZLAYDS-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.30
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-(4-fluorophenyl)phenyl]carbamic acid
CID 22224702
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid
CID 22224785
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid
CID 138680014
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid
CID 22224911
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone
CID 155400027
4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid
CID 172876917
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid (CID 22224953) is [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid is Nc1cc(-c2cc(F)ccc2F)ccc1NC(=O)O.
What is the InChIKey of [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid?
The InChIKey is RAELZZBCZLAYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-8-2-3-10(15)9(6-8)7-1-4-12(11(16)5-7)17-13(18)19/h1-6,17H,16H2,(H,18,19).
What are the key properties of [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid?
[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid has a molecular weight of 264.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid is sourced from PubChem (CID 22224953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).