2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide

C16H16Br2N2O — CID 107599095

IUPAC2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C16H16Br2N2O/c1-10-6-8-12(9-7-10)20-16(21)11(2)19-15-13(17)4-3-5-14(15)18/h3-9,11,19H,1-2H3,(H,20,21)
InChIKeyMFCKDCCKTIDAOU-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.96
Rot. Bonds4

About 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide

2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide (PubChem CID 107599095) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide
PubChem CID107599095
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C16H16Br2N2O/c1-10-6-8-12(9-7-10)20-16(21)11(2)19-15-13(17)4-3-5-14(15)18/h3-9,11,19H,1-2H3,(H,20,21)
InChIKeyMFCKDCCKTIDAOU-UHFFFAOYSA-N
XLogP4.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
2-(2-bromophenyl)-2-hydroxy-N-(4-methylphenyl)acetamide
CID 141424634
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 4613859

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide (CID 107599095) is 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Nc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is MFCKDCCKTIDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10-6-8-12(9-7-10)20-16(21)11(2)19-15-13(17)4-3-5-14(15)18/h3-9,11,19H,1-2H3,(H,20,21).
What are the key properties of 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide?
2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 412.13 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 107599095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).