4-bromo-N-[(dimethylamino)methyl]benzamide

C10H13BrN2O — CID 86084577

IUPAC4-bromo-N-[(dimethylamino)methyl]benzamide
SMILESCN(C)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-13(2)7-12-10(14)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyMUZOGYNOLBRGHQ-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.70
Rot. Bonds3

About 4-bromo-N-[(dimethylamino)methyl]benzamide

4-bromo-N-[(dimethylamino)methyl]benzamide (PubChem CID 86084577) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-N-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(dimethylamino)methyl]benzamide
PubChem CID86084577
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-bromo-N-[(dimethylamino)methyl]benzamide
SMILESCN(C)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-13(2)7-12-10(14)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyMUZOGYNOLBRGHQ-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-(chloromethyl)benzamide
CID 29079018
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
4-bromo-N-[2-(dimethylamino)ethylcarbamothioyl]benzamide
CID 54791375
4-bromo-N-pentylbenzamide
CID 4167913
4-bromo-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108571340
4-[(4-bromobenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285440
2-[[2-[(4-bromobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 62627271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(dimethylamino)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(dimethylamino)methyl]benzamide (CID 86084577) is 4-bromo-N-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(dimethylamino)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(dimethylamino)methyl]benzamide is CN(C)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(dimethylamino)methyl]benzamide?
The InChIKey is MUZOGYNOLBRGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-13(2)7-12-10(14)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 4-bromo-N-[(dimethylamino)methyl]benzamide?
4-bromo-N-[(dimethylamino)methyl]benzamide has a molecular weight of 257.13 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 86084577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).