N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide

C18H21BrN2O — CID 109036567

IUPACN-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(Br)cc1C)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-3-21(16-7-5-4-6-8-16)12-11-18(22)20-17-10-9-15(19)13-14(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyZTVNTSWYZITJQC-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.61
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide

N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide (PubChem CID 109036567) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
PubChem CID109036567
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(Br)cc1C)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-3-21(16-7-5-4-6-8-16)12-11-18(22)20-17-10-9-15(19)13-14(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyZTVNTSWYZITJQC-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
CID 110688631
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36639429
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide (CID 109036567) is N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide is CCN(CCC(=O)Nc1ccc(Br)cc1C)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide?
The InChIKey is ZTVNTSWYZITJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-3-21(16-7-5-4-6-8-16)12-11-18(22)20-17-10-9-15(19)13-14(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide?
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide has a molecular weight of 361.28 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide is sourced from PubChem (CID 109036567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).