N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide

C17H19BrN2O — CID 107630943

IUPACN-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(Br)c2C)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-11-19-14-9-7-13(8-10-14)17(21)20-16-6-4-5-15(18)12(16)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyLFNGQUGNNOCXOX-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.83
Rot. Bonds5

About N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide

N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide (PubChem CID 107630943) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
PubChem CID107630943
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(Br)c2C)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-11-19-14-9-7-13(8-10-14)17(21)20-16-6-4-5-15(18)12(16)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyLFNGQUGNNOCXOX-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
CID 107603351
N-(2,6-dimethylphenyl)-4-(propylamino)benzamide
CID 62166423
N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide
CID 107631086
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043031
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107631129
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide (CID 107630943) is N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2cccc(Br)c2C)cc1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide?
The InChIKey is LFNGQUGNNOCXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-11-19-14-9-7-13(8-10-14)17(21)20-16-6-4-5-15(18)12(16)2/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide?
N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.83, 5 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-(propylamino)benzamide is sourced from PubChem (CID 107630943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).