2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide

C10H12BrFN2O — CID 43214414

IUPAC2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c1-13-10(15)6-14-5-7-4-8(11)2-3-9(7)12/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKeyNKPWKFCSNGOSEW-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.42
Rot. Bonds4

About 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide

2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide (PubChem CID 43214414) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
PubChem CID43214414
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c1-13-10(15)6-14-5-7-4-8(11)2-3-9(7)12/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKeyNKPWKFCSNGOSEW-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
CID 61300625
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
5-[(5-bromo-2-fluorophenyl)methylamino]pentan-2-one
CID 115236526
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
1-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222290
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
methyl 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 104644127
methyl 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzoate
CID 61299463
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide (CID 43214414) is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide is CNC(=O)CNCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide?
The InChIKey is NKPWKFCSNGOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-13-10(15)6-14-5-7-4-8(11)2-3-9(7)12/h2-4,14H,5-6H2,1H3,(H,13,15).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide?
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide has a molecular weight of 275.12 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 43214414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).