N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide

C10H13BrFN3O — CID 116735517

IUPACN-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H13BrFN3O/c1-6(16)14-2-3-15-10-4-7(11)8(12)5-9(10)13/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyYEEADXCVDCXAEN-UHFFFAOYSA-N
MW290.14 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide

N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide (PubChem CID 116735517) has the molecular formula C10H13BrFN3O and a molecular weight of 290.14 g/mol. Its IUPAC name is N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
PubChem CID116735517
Molecular FormulaC10H13BrFN3O
Molecular Weight290.14 g/mol
Exact Mass289.02
IUPAC NameN-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H13BrFN3O/c1-6(16)14-2-3-15-10-4-7(11)8(12)5-9(10)13/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyYEEADXCVDCXAEN-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
N-[2-(4-bromo-5-fluoro-2-methylanilino)ethyl]acetamide
CID 107530080
5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol
CID 106119789
N-[2-(4-amino-2,6-difluoroanilino)ethyl]acetamide
CID 61015513
2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
CID 114161852
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
4-bromo-2-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzene-1,2-diamine
CID 116735336
4-bromo-2-N-[2-(3,5-difluorophenyl)ethyl]-5-fluorobenzene-1,2-diamine
CID 116735859
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
CID 106334547

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide (CID 116735517) is N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide is CC(=O)NCCNc1cc(Br)c(F)cc1N.
What is the InChIKey of N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide?
The InChIKey is YEEADXCVDCXAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3O/c1-6(16)14-2-3-15-10-4-7(11)8(12)5-9(10)13/h4-5,15H,2-3,13H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide?
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide has a molecular weight of 290.14 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide is sourced from PubChem (CID 116735517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).