(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone

C18H14FNO — CID 107129703

IUPAC(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3cc2N)cc1F
InChIInChI=1S/C18H14FNO/c1-11-6-7-14(9-16(11)19)18(21)15-8-12-4-2-3-5-13(12)10-17(15)20/h2-10H,20H2,1H3
InChIKeyYDIGIGKPVCSWKW-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.10
Rot. Bonds2

About (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone

(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 107129703) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID107129703
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3cc2N)cc1F
InChIInChI=1S/C18H14FNO/c1-11-6-7-14(9-16(11)19)18(21)15-8-12-4-2-3-5-13(12)10-17(15)20/h2-10H,20H2,1H3
InChIKeyYDIGIGKPVCSWKW-UHFFFAOYSA-N
XLogP4.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
CID 107128303
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434759

Frequently Asked Questions

What is the IUPAC name of (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone (CID 107129703) is (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc3ccccc3cc2N)cc1F.
What is the InChIKey of (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YDIGIGKPVCSWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-11-6-7-14(9-16(11)19)18(21)15-8-12-4-2-3-5-13(12)10-17(15)20/h2-10H,20H2,1H3.
What are the key properties of (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone?
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 279.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107129703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).