2-bromo-N-[2-(dimethylamino)propyl]benzamide

C12H17BrN2O — CID 60748459

IUPAC2-bromo-N-[2-(dimethylamino)propyl]benzamide
SMILESCC(CNC(=O)c1ccccc1Br)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-9(15(2)3)8-14-12(16)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyNQELCYULXVYPBJ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.13
Rot. Bonds4

About 2-bromo-N-[2-(dimethylamino)propyl]benzamide

2-bromo-N-[2-(dimethylamino)propyl]benzamide (PubChem CID 60748459) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)propyl]benzamide
PubChem CID60748459
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-bromo-N-[2-(dimethylamino)propyl]benzamide
SMILESCC(CNC(=O)c1ccccc1Br)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-9(15(2)3)8-14-12(16)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyNQELCYULXVYPBJ-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)propyl]-2-hydrazinylbenzamide
CID 62248398
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 112503708
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
2-[[(2-bromobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65219903
2-bromo-N-(4-chloro-2-methylbutyl)benzamide
CID 114305988
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]benzamide (CID 60748459) is 2-bromo-N-[2-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)propyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)propyl]benzamide is CC(CNC(=O)c1ccccc1Br)N(C)C.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)propyl]benzamide?
The InChIKey is NQELCYULXVYPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(15(2)3)8-14-12(16)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 2-bromo-N-[2-(dimethylamino)propyl]benzamide?
2-bromo-N-[2-(dimethylamino)propyl]benzamide has a molecular weight of 285.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 60748459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).