(3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone

C20H14FNO2S — CID 71517521

IUPAC(3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1F
InChIInChI=1S/C20H14FNO2S/c1-24-17-11-10-13(12-14(17)21)20(23)22-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)22/h2-12H,1H3
InChIKeyAWLQPQFMCOLBQN-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.28
Rot. Bonds2

About (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone

(3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone (PubChem CID 71517521) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone
PubChem CID71517521
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name(3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1F
InChIInChI=1S/C20H14FNO2S/c1-24-17-11-10-13(12-14(17)21)20(23)22-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)22/h2-12H,1H3
InChIKeyAWLQPQFMCOLBQN-UHFFFAOYSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-10-(4-methoxybenzoyl)-10H-phenothiazine
CID 2359994
p-tolyl 10H-phenothiazine-10-carboxylate
CID 24905594
ethyl 2-(10H-phenothiazin-10-ylcarbonyl)phenyl ether
CID 753236
(2-methoxyphenyl)(10H-phenothiazin-10-yl)methanone
CID 695276
4-Methoxyphenyl phenothiazin-10-yl ketone
CID 1237217
Methyl 4-(3-phenothiazin-10-ylpropanoyloxy)benzoate
CID 2395117
(4-Acetylphenyl) 3-phenothiazin-10-ylpropanoate
CID 2572915
(2,4-Dimethoxyphenyl)-phenothiazin-10-ylmethanone
CID 3478672
4-Benzyl-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 16010130
4-Benzyl-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 16011545
(3-Hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 53309278
(2-Methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone
CID 53309413

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone (CID 71517521) is (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone is COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is AWLQPQFMCOLBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S/c1-24-17-11-10-13(12-14(17)21)20(23)22-15-6-2-4-8-18(15)25-19-9-5-3-7-16(19)22/h2-12H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
(3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 351.40 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 71517521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).