2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide

C17H19BrN2O — CID 43720767

IUPAC2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-20(2)17(21)11-13-7-9-15(10-8-13)19-12-14-5-3-4-6-16(14)18/h3-10,19H,11-12H2,1-2H3
InChIKeyKARCFONALVIMES-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide

2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 43720767) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
PubChem CID43720767
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-20(2)17(21)11-13-7-9-15(10-8-13)19-12-14-5-3-4-6-16(14)18/h3-10,19H,11-12H2,1-2H3
InChIKeyKARCFONALVIMES-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 43747278
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
2-[4-[(2-bromophenyl)methylamino]phenyl]ethanol
CID 61236412
2-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 102833022
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
4-[(2-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43425513
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 66410759
methyl 2-[4-[(2-bromophenyl)methylamino]phenoxy]acetate
CID 43676822
N,N-dimethyl-2-[4-[(3-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 115652552
propan-2-yl 4-[(2-bromophenyl)methylamino]benzoate
CID 43231560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide (CID 43720767) is 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NCc2ccccc2Br)cc1.
What is the InChIKey of 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is KARCFONALVIMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-20(2)17(21)11-13-7-9-15(10-8-13)19-12-14-5-3-4-6-16(14)18/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 347.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 43720767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).