N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide

C13H19BrN2O — CID 62838768

IUPACN-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O/c1-4-15-10(3)8-13(17)16-11-5-6-12(14)9(2)7-11/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyZHMROBIPQIBCJC-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.08
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide

N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide (PubChem CID 62838768) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
PubChem CID62838768
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O/c1-4-15-10(3)8-13(17)16-11-5-6-12(14)9(2)7-11/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyZHMROBIPQIBCJC-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-(4-bromo-3-methylphenyl)-3-cyanobutanamide
CID 82124267
N-(4-bromo-3-methylphenyl)-3,5,5-trimethylhexanamide
CID 43321101
(3S)-N-(4-bromo-3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708037
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide
CID 62838808
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide (CID 62838768) is N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide?
The InChIKey is ZHMROBIPQIBCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-15-10(3)8-13(17)16-11-5-6-12(14)9(2)7-11/h5-7,10,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide?
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide has a molecular weight of 299.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62838768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).