N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide

C12H17BrN2O — CID 103601047

IUPACN-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-14(2)9-12(16)15(3)8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyBPMRBGMFAJSLQP-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.97
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide

N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide (PubChem CID 103601047) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
PubChem CID103601047
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-14(2)9-12(16)15(3)8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyBPMRBGMFAJSLQP-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305
N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 154754676
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
N-[(4-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26048426
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide (CID 103601047) is N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
The InChIKey is BPMRBGMFAJSLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-14(2)9-12(16)15(3)8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide has a molecular weight of 285.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 103601047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).