N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C19H20Br2N2O2 — CID 55611381

IUPACN-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2cc(Br)ccc2Br)C(C)C)c1
InChIInChI=1S/C19H20Br2N2O2/c1-11(2)17(23-18(24)13-6-4-5-12(3)9-13)19(25)22-16-10-14(20)7-8-15(16)21/h4-11,17H,1-3H3,(H,22,25)(H,23,24)
InChIKeyXVPXQXWPHCVWQN-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.91
Rot. Bonds5

About N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 55611381) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID55611381
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC NameN-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2cc(Br)ccc2Br)C(C)C)c1
InChIInChI=1S/C19H20Br2N2O2/c1-11(2)17(23-18(24)13-6-4-5-12(3)9-13)19(25)22-16-10-14(20)7-8-15(16)21/h4-11,17H,1-3H3,(H,22,25)(H,23,24)
InChIKeyXVPXQXWPHCVWQN-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
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N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
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3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
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2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 119240343
3-methyl-N-(3-methylbutan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 55611381) is N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C(=O)Nc2cc(Br)ccc2Br)C(C)C)c1.
What is the InChIKey of N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is XVPXQXWPHCVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c1-11(2)17(23-18(24)13-6-4-5-12(3)9-13)19(25)22-16-10-14(20)7-8-15(16)21/h4-11,17H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 468.19 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55611381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).