(2,5-diaminophenyl)-(2-fluorophenyl)methanone

C13H11FN2O — CID 526486

IUPAC(2,5-diaminophenyl)-(2-fluorophenyl)methanone
SMILESNc1ccc(N)c(C(=O)c2ccccc2F)c1
InChIInChI=1S/C13H11FN2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7H,15-16H2
InChIKeyOKCCYEPCUCOYDR-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.22
Rot. Bonds2

About (2,5-diaminophenyl)-(2-fluorophenyl)methanone

(2,5-diaminophenyl)-(2-fluorophenyl)methanone (PubChem CID 526486) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is (2,5-diaminophenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-diaminophenyl)-(2-fluorophenyl)methanone
PubChem CID526486
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name(2,5-diaminophenyl)-(2-fluorophenyl)methanone
SMILESNc1ccc(N)c(C(=O)c2ccccc2F)c1
InChIInChI=1S/C13H11FN2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7H,15-16H2
InChIKeyOKCCYEPCUCOYDR-UHFFFAOYSA-N
XLogP2.22
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride
CID 6429540
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
(4-amino-2-bromophenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81461861
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 20520026
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969

Frequently Asked Questions

What is the IUPAC name of (2,5-diaminophenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (2,5-diaminophenyl)-(2-fluorophenyl)methanone (CID 526486) is (2,5-diaminophenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (2,5-diaminophenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (2,5-diaminophenyl)-(2-fluorophenyl)methanone is Nc1ccc(N)c(C(=O)c2ccccc2F)c1.
What is the InChIKey of (2,5-diaminophenyl)-(2-fluorophenyl)methanone?
The InChIKey is OKCCYEPCUCOYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7H,15-16H2.
What are the key properties of (2,5-diaminophenyl)-(2-fluorophenyl)methanone?
(2,5-diaminophenyl)-(2-fluorophenyl)methanone has a molecular weight of 230.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diaminophenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 526486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).