[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone

C19H15Cl2NOS — CID 10292905

IUPAC[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone
SMILESCc1cc(Cl)c(C(=O)c2ccc(Nc3ccccc3C)cc2Cl)s1
InChIInChI=1S/C19H15Cl2NOS/c1-11-5-3-4-6-17(11)22-13-7-8-14(15(20)10-13)18(23)19-16(21)9-12(2)24-19/h3-10,22H,1-2H3
InChIKeyHQKFBCOZHBEXTI-UHFFFAOYSA-N
MW376.31 g/mol
LogP6.65
Rot. Bonds4

About [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone

[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone (PubChem CID 10292905) has the molecular formula C19H15Cl2NOS and a molecular weight of 376.31 g/mol. Its IUPAC name is [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone
PubChem CID10292905
Molecular FormulaC19H15Cl2NOS
Molecular Weight376.31 g/mol
Exact Mass375.03
IUPAC Name[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone
SMILESCc1cc(Cl)c(C(=O)c2ccc(Nc3ccccc3C)cc2Cl)s1
InChIInChI=1S/C19H15Cl2NOS/c1-11-5-3-4-6-17(11)22-13-7-8-14(15(20)10-13)18(23)19-16(21)9-12(2)24-19/h3-10,22H,1-2H3
InChIKeyHQKFBCOZHBEXTI-UHFFFAOYSA-N
XLogP6.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-1-benzothiophen-3-yl)-[2-chloro-4-(2-methylanilino)phenyl]methanone
CID 10295139
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine
CID 10156413
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
[2-chloro-4-[2-[2-(2-hydroxyethoxy)ethoxymethyl]anilino]phenyl]-(2-methylphenyl)methanone
CID 10203602
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486
[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

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone?
The IUPAC name of [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone (CID 10292905) is [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone is Cc1cc(Cl)c(C(=O)c2ccc(Nc3ccccc3C)cc2Cl)s1.
What is the InChIKey of [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone?
The InChIKey is HQKFBCOZHBEXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NOS/c1-11-5-3-4-6-17(11)22-13-7-8-14(15(20)10-13)18(23)19-16(21)9-12(2)24-19/h3-10,22H,1-2H3.
What are the key properties of [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone?
[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone has a molecular weight of 376.31 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 10292905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).