N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide

C15H20Br2N2O — CID 79394511

IUPACN-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
SMILESCC(NCCCC(=O)NC1CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H20Br2N2O/c1-10(13-7-4-11(16)9-14(13)17)18-8-2-3-15(20)19-12-5-6-12/h4,7,9-10,12,18H,2-3,5-6,8H2,1H3,(H,19,20)
InChIKeyLDZGIBFVQGDSDH-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.92
Rot. Bonds7

About N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide

N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide (PubChem CID 79394511) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
PubChem CID79394511
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC NameN-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
SMILESCC(NCCCC(=O)NC1CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H20Br2N2O/c1-10(13-7-4-11(16)9-14(13)17)18-8-2-3-15(20)19-12-5-6-12/h4,7,9-10,12,18H,2-3,5-6,8H2,1H3,(H,19,20)
InChIKeyLDZGIBFVQGDSDH-UHFFFAOYSA-N
XLogP3.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide
CID 60781734
N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
CID 79394410
2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 116528718
N-cyclopropyl-4-[1-(3-nitrophenyl)ethylamino]butanamide
CID 79139820
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide (CID 79394511) is N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide is CC(NCCCC(=O)NC1CC1)c1ccc(Br)cc1Br.
What is the InChIKey of N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide?
The InChIKey is LDZGIBFVQGDSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-10(13-7-4-11(16)9-14(13)17)18-8-2-3-15(20)19-12-5-6-12/h4,7,9-10,12,18H,2-3,5-6,8H2,1H3,(H,19,20).
What are the key properties of N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide?
N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide has a molecular weight of 404.15 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide is sourced from PubChem (CID 79394511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).