(3-amino-4-fluorophenyl)-phenylmethanone

C13H10FNO — CID 18962631

IUPAC(3-amino-4-fluorophenyl)-phenylmethanone
SMILESNc1cc(C(=O)c2ccccc2)ccc1F
InChIInChI=1S/C13H10FNO/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,15H2
InChIKeyHQRWEUDBQDPDCK-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.64
Rot. Bonds2

About (3-amino-4-fluorophenyl)-phenylmethanone

(3-amino-4-fluorophenyl)-phenylmethanone (PubChem CID 18962631) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-phenylmethanone
PubChem CID18962631
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name(3-amino-4-fluorophenyl)-phenylmethanone
SMILESNc1cc(C(=O)c2ccccc2)ccc1F
InChIInChI=1S/C13H10FNO/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,15H2
InChIKeyHQRWEUDBQDPDCK-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-4-[(2-amino-4-benzoylphenyl)disulfanyl]phenyl]-phenylmethanone
CID 46862067
[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 10849266
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79593248
3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
CID 110488257
(4-aminophenyl)-phenylmethanone
CID 14346
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-amino-5-benzoylbenzaldehyde
CID 58625138
1-(3-amino-4-fluorophenyl)-2-anilinoethanone
CID 82478373
(3-amino-4-nitrophenyl)-phenylmethanone
CID 4017647
(3-aminophenyl)-phenylmethanone
CID 17817
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-phenylmethanone?
The IUPAC name of (3-amino-4-fluorophenyl)-phenylmethanone (CID 18962631) is (3-amino-4-fluorophenyl)-phenylmethanone.
What is the SMILES notation for (3-amino-4-fluorophenyl)-phenylmethanone?
The canonical SMILES for (3-amino-4-fluorophenyl)-phenylmethanone is Nc1cc(C(=O)c2ccccc2)ccc1F.
What is the InChIKey of (3-amino-4-fluorophenyl)-phenylmethanone?
The InChIKey is HQRWEUDBQDPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,15H2.
What are the key properties of (3-amino-4-fluorophenyl)-phenylmethanone?
(3-amino-4-fluorophenyl)-phenylmethanone has a molecular weight of 215.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-phenylmethanone is sourced from PubChem (CID 18962631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).