N-[5-bromo-2-(dimethylamino)phenyl]acetamide

C10H13BrN2O — CID 60651446

IUPACN-[5-bromo-2-(dimethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C10H13BrN2O/c1-7(14)12-9-6-8(11)4-5-10(9)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyCVLKFEJFARXPHG-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.47
Rot. Bonds2

About N-[5-bromo-2-(dimethylamino)phenyl]acetamide

N-[5-bromo-2-(dimethylamino)phenyl]acetamide (PubChem CID 60651446) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]acetamide
PubChem CID60651446
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C10H13BrN2O/c1-7(14)12-9-6-8(11)4-5-10(9)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyCVLKFEJFARXPHG-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-bromo-2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992511
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
CID 62639676
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
N-[5-bromo-2-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62833936
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
CID 65173773
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]acetamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]acetamide (CID 60651446) is N-[5-bromo-2-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]acetamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]acetamide is CC(=O)Nc1cc(Br)ccc1N(C)C.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]acetamide?
The InChIKey is CVLKFEJFARXPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7(14)12-9-6-8(11)4-5-10(9)13(2)3/h4-6H,1-3H3,(H,12,14).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]acetamide?
N-[5-bromo-2-(dimethylamino)phenyl]acetamide has a molecular weight of 257.13 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 60651446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).