2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide

C17H19BrN2O — CID 80973223

IUPAC2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H19BrN2O/c1-12-4-9-16(18)15(10-12)17(21)19-14-7-5-13(6-8-14)11-20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyAWDREVKLZPETMC-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.07
Rot. Bonds4

About 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide

2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide (PubChem CID 80973223) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
PubChem CID80973223
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H19BrN2O/c1-12-4-9-16(18)15(10-12)17(21)19-14-7-5-13(6-8-14)11-20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyAWDREVKLZPETMC-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
CID 107794020
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide (CID 80973223) is 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(CN(C)C)cc2)c1.
What is the InChIKey of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide?
The InChIKey is AWDREVKLZPETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-4-9-16(18)15(10-12)17(21)19-14-7-5-13(6-8-14)11-20(2)3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide?
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide has a molecular weight of 347.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide is sourced from PubChem (CID 80973223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).