2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide

C14H12Br2N2O2 — CID 146415877

IUPAC2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
SMILESO=C(CBr)Nc1ccc2cc(NC(=O)CBr)ccc2c1
InChIInChI=1S/C14H12Br2N2O2/c15-7-13(19)17-11-3-1-9-5-12(18-14(20)8-16)4-2-10(9)6-11/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyFCJPYEJMXHJOOF-UHFFFAOYSA-N
MW400.07 g/mol
LogP3.51
Rot. Bonds4

About 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide

2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide (PubChem CID 146415877) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
PubChem CID146415877
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
SMILESO=C(CBr)Nc1ccc2cc(NC(=O)CBr)ccc2c1
InChIInChI=1S/C14H12Br2N2O2/c15-7-13(19)17-11-3-1-9-5-12(18-14(20)8-16)4-2-10(9)6-11/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyFCJPYEJMXHJOOF-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
2-amino-N-(6-hydroxynaphthalen-2-yl)acetamide
CID 18931987
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
CID 81003623
2-amino-N-(6-methylnaphthalen-2-yl)acetamide
CID 115151559

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide (CID 146415877) is 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide is O=C(CBr)Nc1ccc2cc(NC(=O)CBr)ccc2c1.
What is the InChIKey of 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide?
The InChIKey is FCJPYEJMXHJOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c15-7-13(19)17-11-3-1-9-5-12(18-14(20)8-16)4-2-10(9)6-11/h1-6H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide?
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide has a molecular weight of 400.07 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide is sourced from PubChem (CID 146415877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).