N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide

C12H17BrN2O — CID 60641092

IUPACN-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-14-8-12(16)15(2)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyBPMOUMMBIDPMGA-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.02
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide (PubChem CID 60641092) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
PubChem CID60641092
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-14-8-12(16)15(2)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyBPMOUMMBIDPMGA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
CID 55365341
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
1-(2-bromophenyl)-3-(ethylamino)propan-2-one
CID 116562504
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide (CID 60641092) is N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The InChIKey is BPMOUMMBIDPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-14-8-12(16)15(2)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide has a molecular weight of 285.19 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 60641092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).