(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone

C17H11ClFNO — CID 79593248

IUPAC(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
SMILESNc1cc(C(=O)c2ccc(Cl)c3ccccc23)ccc1F
InChIInChI=1S/C17H11ClFNO/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(21)10-5-8-15(19)16(20)9-10/h1-9H,20H2
InChIKeyOEGKLPMLJJNGGC-UHFFFAOYSA-N
MW299.73 g/mol
LogP4.45
Rot. Bonds2

About (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone

(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone (PubChem CID 79593248) has the molecular formula C17H11ClFNO and a molecular weight of 299.73 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
PubChem CID79593248
Molecular FormulaC17H11ClFNO
Molecular Weight299.73 g/mol
Exact Mass299.05
IUPAC Name(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
SMILESNc1cc(C(=O)c2ccc(Cl)c3ccccc23)ccc1F
InChIInChI=1S/C17H11ClFNO/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(21)10-5-8-15(19)16(20)9-10/h1-9H,20H2
InChIKeyOEGKLPMLJJNGGC-UHFFFAOYSA-N
XLogP4.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 54.45
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-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
CID 82779875
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
The IUPAC name of (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone (CID 79593248) is (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone.
What is the SMILES notation for (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
The canonical SMILES for (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone is Nc1cc(C(=O)c2ccc(Cl)c3ccccc23)ccc1F.
What is the InChIKey of (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
The InChIKey is OEGKLPMLJJNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(21)10-5-8-15(19)16(20)9-10/h1-9H,20H2.
What are the key properties of (3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone has a molecular weight of 299.73 g/mol, XLogP of 4.45, 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)-(4-chloronaphthalen-1-yl)methanone is sourced from PubChem (CID 79593248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).