N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide

C20H15FN2OS — CID 608051

IUPACN-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15FN2OS/c21-15-11-9-14(10-12-15)13-22-20(24)23-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)23/h1-12H,13H2,(H,22,24)
InChIKeyDFAIWPAMJUEQQQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.34
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide

N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide (PubChem CID 608051) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide
PubChem CID608051
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC NameN-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15FN2OS/c21-15-11-9-14(10-12-15)13-22-20(24)23-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)23/h1-12H,13H2,(H,22,24)
InChIKeyDFAIWPAMJUEQQQ-UHFFFAOYSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide (CID 608051) is N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide is O=C(NCc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide?
The InChIKey is DFAIWPAMJUEQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-15-11-9-14(10-12-15)13-22-20(24)23-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)23/h1-12H,13H2,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide?
N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 608051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).