N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide

C17H19BrN2O — CID 107631086

IUPACN-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2cccc(Br)c2C)c(C)c1
InChIInChI=1S/C17H19BrN2O/c1-4-19-13-8-9-14(11(2)10-13)17(21)20-16-7-5-6-15(18)12(16)3/h5-10,19H,4H2,1-3H3,(H,20,21)
InChIKeyUCGIQFGFPJNXQS-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.75
Rot. Bonds4

About N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide

N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide (PubChem CID 107631086) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide
PubChem CID107631086
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2cccc(Br)c2C)c(C)c1
InChIInChI=1S/C17H19BrN2O/c1-4-19-13-8-9-14(11(2)10-13)17(21)20-16-7-5-6-15(18)12(16)3/h5-10,19H,4H2,1-3H3,(H,20,21)
InChIKeyUCGIQFGFPJNXQS-UHFFFAOYSA-N
XLogP4.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
CID 107630943
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
CID 113400228
4-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 107630479

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide (CID 107631086) is N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide is CCNc1ccc(C(=O)Nc2cccc(Br)c2C)c(C)c1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide?
The InChIKey is UCGIQFGFPJNXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-4-19-13-8-9-14(11(2)10-13)17(21)20-16-7-5-6-15(18)12(16)3/h5-10,19H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide?
N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide has a molecular weight of 347.26 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide is sourced from PubChem (CID 107631086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).