[4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone

C23H21BrClNO2 — CID 69341741

IUPAC[4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(Nc3cccc(Br)c3C)cc2Cl)c(C)c1
InChIInChI=1S/C23H21BrClNO2/c1-4-28-17-9-11-18(14(2)12-17)23(27)19-10-8-16(13-21(19)25)26-22-7-5-6-20(24)15(22)3/h5-13,26H,4H2,1-3H3
InChIKeyGELHUBBOVXOCTL-UHFFFAOYSA-N
MW458.78 g/mol
LogP7.09
Rot. Bonds6

About [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone

[4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone (PubChem CID 69341741) has the molecular formula C23H21BrClNO2 and a molecular weight of 458.78 g/mol. Its IUPAC name is [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone
PubChem CID69341741
Molecular FormulaC23H21BrClNO2
Molecular Weight458.78 g/mol
Exact Mass457.04
IUPAC Name[4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(Nc3cccc(Br)c3C)cc2Cl)c(C)c1
InChIInChI=1S/C23H21BrClNO2/c1-4-28-17-9-11-18(14(2)12-17)23(27)19-10-8-16(13-21(19)25)26-22-7-5-6-20(24)15(22)3/h5-13,26H,4H2,1-3H3
InChIKeyGELHUBBOVXOCTL-UHFFFAOYSA-N
XLogP7.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.78
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[4-(2-amino-4-bromoanilino)-2-chlorophenyl]-(2-methyl-4-prop-2-enoxyphenyl)methanone
CID 58677525
[4-(4-bromoanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanethione
CID 141030970
ethyl 2-amino-5-(3-bromo-2-methylanilino)benzoate
CID 107637696
N'-[5-bromo-2-[3-chloro-4-(2-methyl-4-prop-2-enoxybenzoyl)anilino]phenyl]butanediamide
CID 141106483
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoic acid
CID 58677585
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoyl chloride
CID 87352464
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174459
4-ethoxy-2-methyl-N-(3-methylphenyl)aniline
CID 70470964

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone?
The IUPAC name of [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone (CID 69341741) is [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone is CCOc1ccc(C(=O)c2ccc(Nc3cccc(Br)c3C)cc2Cl)c(C)c1.
What is the InChIKey of [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone?
The InChIKey is GELHUBBOVXOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClNO2/c1-4-28-17-9-11-18(14(2)12-17)23(27)19-10-8-16(13-21(19)25)26-22-7-5-6-20(24)15(22)3/h5-13,26H,4H2,1-3H3.
What are the key properties of [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone?
[4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone has a molecular weight of 458.78 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone is sourced from PubChem (CID 69341741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).