(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone

C20H13Cl2NOS — CID 91689668

IUPAC(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone
SMILESCc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1Cl
InChIInChI=1S/C20H13Cl2NOS/c1-12-6-7-13(10-15(12)22)20(24)23-16-4-2-3-5-18(16)25-19-9-8-14(21)11-17(19)23/h2-11H,1H3
InChIKeyLGBQSMFDPBYQJI-UHFFFAOYSA-N
MW386.30 g/mol
LogP6.74
Rot. Bonds1

About (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone

(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone (PubChem CID 91689668) has the molecular formula C20H13Cl2NOS and a molecular weight of 386.30 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone
PubChem CID91689668
Molecular FormulaC20H13Cl2NOS
Molecular Weight386.30 g/mol
Exact Mass385.01
IUPAC Name(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone
SMILESCc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1Cl
InChIInChI=1S/C20H13Cl2NOS/c1-12-6-7-13(10-15(12)22)20(24)23-16-4-2-3-5-18(16)25-19-9-8-14(21)11-17(19)23/h2-11H,1H3
InChIKeyLGBQSMFDPBYQJI-UHFFFAOYSA-N
XLogP6.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.30
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
CID 599640
(3-chloro-4-ethoxyphenyl)-phenothiazin-10-ylmethanone
CID 71517523
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate
CID 9119323
1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride
CID 43834134
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 54337450
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772493

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone (CID 91689668) is (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone is Cc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone?
The InChIKey is LGBQSMFDPBYQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NOS/c1-12-6-7-13(10-15(12)22)20(24)23-16-4-2-3-5-18(16)25-19-9-8-14(21)11-17(19)23/h2-11H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone?
(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone has a molecular weight of 386.30 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone is sourced from PubChem (CID 91689668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).