(2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone

C22H15Cl2NOS — CID 10295139

IUPAC(2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone
SMILESCc1ccccc1Nc1ccc(C(=O)c2c(Cl)sc3ccccc23)c(Cl)c1
InChIInChI=1S/C22H15Cl2NOS/c1-13-6-2-4-8-18(13)25-14-10-11-15(17(23)12-14)21(26)20-16-7-3-5-9-19(16)27-22(20)24/h2-12,25H,1H3
InChIKeyPNHLVESIAWIDPW-UHFFFAOYSA-N
MW412.34 g/mol
LogP7.49
Rot. Bonds4

About (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone

(2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone (PubChem CID 10295139) has the molecular formula C22H15Cl2NOS and a molecular weight of 412.34 g/mol. Its IUPAC name is (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone
PubChem CID10295139
Molecular FormulaC22H15Cl2NOS
Molecular Weight412.34 g/mol
Exact Mass411.03
IUPAC Name(2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone
SMILESCc1ccccc1Nc1ccc(C(=O)c2c(Cl)sc3ccccc23)c(Cl)c1
InChIInChI=1S/C22H15Cl2NOS/c1-13-6-2-4-8-18(13)25-14-10-11-15(17(23)12-14)21(26)20-16-7-3-5-9-19(16)27-22(20)24/h2-12,25H,1H3
InChIKeyPNHLVESIAWIDPW-UHFFFAOYSA-N
XLogP7.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.34
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone
CID 10292905
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine
CID 10156413
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 10294143
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
CID 10111445
2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioic acid
CID 22174552
[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174459

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone?
The IUPAC name of (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone (CID 10295139) is (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone.
What is the SMILES notation for (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone?
The canonical SMILES for (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone is Cc1ccccc1Nc1ccc(C(=O)c2c(Cl)sc3ccccc23)c(Cl)c1.
What is the InChIKey of (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone?
The InChIKey is PNHLVESIAWIDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NOS/c1-13-6-2-4-8-18(13)25-14-10-11-15(17(23)12-14)21(26)20-16-7-3-5-9-19(16)27-22(20)24/h2-12,25H,1H3.
What are the key properties of (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone?
(2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone has a molecular weight of 412.34 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone is sourced from PubChem (CID 10295139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).