N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide

C21H17FN2OS — CID 92674241

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide
SMILESC[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2OS/c1-14(15-10-12-16(22)13-11-15)23-21(25)24-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)24/h2-14H,1H3,(H,23,25)/t14-/m1/s1
InChIKeyJTKTZGREYCFSQK-CQSZACIVSA-N
MW364.45 g/mol
LogP5.90
Rot. Bonds2

About N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide (PubChem CID 92674241) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide
PubChem CID92674241
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide
SMILESC[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2OS/c1-14(15-10-12-16(22)13-11-15)23-21(25)24-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)24/h2-14H,1H3,(H,23,25)/t14-/m1/s1
InChIKeyJTKTZGREYCFSQK-CQSZACIVSA-N
XLogP5.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
[(1R)-1-(4-fluorophenyl)ethyl] 3-phenothiazin-10-ylpropanoate
CID 2524191
1-(4-fluorophenyl)ethyl 3-phenothiazin-10-ylpropanoate
CID 4969584
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
4-[(Z)-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(1-phenylethyl)benzamide
CID 46250019
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide (CID 92674241) is N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide is C[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide?
The InChIKey is JTKTZGREYCFSQK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17FN2OS/c1-14(15-10-12-16(22)13-11-15)23-21(25)24-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)24/h2-14H,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 92674241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).