N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide

C11H15BrN2O — CID 28684406

IUPACN-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-9(15)14-7-6-13-8-10-2-4-11(12)5-3-10/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyQNXQMTPAYXWLKR-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.67
Rot. Bonds5

About N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide

N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide (PubChem CID 28684406) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
PubChem CID28684406
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-9(15)14-7-6-13-8-10-2-4-11(12)5-3-10/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyQNXQMTPAYXWLKR-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.67
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-[[4-(2-phenylethyl)phenyl]methylamino]ethyl]acetamide
CID 11437928
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide;hydrochloride
CID 91663076
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
1-[(4-bromophenyl)methyl]-3-(2-oxopropyl)urea
CID 117235576
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide (CID 28684406) is N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide?
The InChIKey is QNXQMTPAYXWLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-9(15)14-7-6-13-8-10-2-4-11(12)5-3-10/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide?
N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide has a molecular weight of 271.16 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 28684406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).