4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide

C24H23BrN2O3 — CID 1179525

IUPAC4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(O[C@H](C)C(=O)Nc3ccc(Br)cc3)cc2)c1C
InChIInChI=1S/C24H23BrN2O3/c1-15-5-4-6-22(16(15)2)27-24(29)18-7-13-21(14-8-18)30-17(3)23(28)26-20-11-9-19(25)10-12-20/h4-14,17H,1-3H3,(H,26,28)(H,27,29)/t17-/m1/s1
InChIKeyTUXSXCMPSXLUER-QGZVFWFLSA-N
MW467.36 g/mol
LogP5.72
Rot. Bonds6

About 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide

4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide (PubChem CID 1179525) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide
PubChem CID1179525
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(O[C@H](C)C(=O)Nc3ccc(Br)cc3)cc2)c1C
InChIInChI=1S/C24H23BrN2O3/c1-15-5-4-6-22(16(15)2)27-24(29)18-7-13-21(14-8-18)30-17(3)23(28)26-20-11-9-19(25)10-12-20/h4-14,17H,1-3H3,(H,26,28)(H,27,29)/t17-/m1/s1
InChIKeyTUXSXCMPSXLUER-QGZVFWFLSA-N
XLogP5.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
N-(4-methoxyphenyl)-4-[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709088
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide (CID 1179525) is 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(O[C@H](C)C(=O)Nc3ccc(Br)cc3)cc2)c1C.
What is the InChIKey of 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is TUXSXCMPSXLUER-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-15-5-4-6-22(16(15)2)27-24(29)18-7-13-21(14-8-18)30-17(3)23(28)26-20-11-9-19(25)10-12-20/h4-14,17H,1-3H3,(H,26,28)(H,27,29)/t17-/m1/s1.
What are the key properties of 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide?
4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 467.36 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 1179525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).