7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide

C15H22BrFN2O — CID 119745593

IUPAC7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCc1cc(Br)ccc1F
InChIInChI=1S/C15H22BrFN2O/c16-13-6-7-14(17)12(11-13)8-10-19-15(20)5-3-1-2-4-9-18/h6-7,11H,1-5,8-10,18H2,(H,19,20)
InChIKeyVSROGUXFLVNUOL-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.16
Rot. Bonds9

About 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide

7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide (PubChem CID 119745593) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
PubChem CID119745593
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCc1cc(Br)ccc1F
InChIInChI=1S/C15H22BrFN2O/c16-13-6-7-14(17)12(11-13)8-10-19-15(20)5-3-1-2-4-9-18/h6-7,11H,1-5,8-10,18H2,(H,19,20)
InChIKeyVSROGUXFLVNUOL-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.16
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

N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
CID 82648185
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
N-[2-(7-aminoheptanoylamino)ethyl]-4-bromobenzamide
CID 119741967
3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride
CID 119327413
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537310
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319
2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide
CID 20823780

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide (CID 119745593) is 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide is NCCCCCCC(=O)NCCc1cc(Br)ccc1F.
What is the InChIKey of 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide?
The InChIKey is VSROGUXFLVNUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c16-13-6-7-14(17)12(11-13)8-10-19-15(20)5-3-1-2-4-9-18/h6-7,11H,1-5,8-10,18H2,(H,19,20).
What are the key properties of 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide?
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide has a molecular weight of 345.26 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide is sourced from PubChem (CID 119745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).