3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide

C23H21BrN2O2 — CID 55630306

IUPAC3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H21BrN2O2/c1-16-8-11-19(14-21(16)25-22(27)18-6-4-3-5-7-18)23(28)26(2)15-17-9-12-20(24)13-10-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyRZXXEOFGIWCKGT-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.28
Rot. Bonds5

About 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide

3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 55630306) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
PubChem CID55630306
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H21BrN2O2/c1-16-8-11-19(14-21(16)25-22(27)18-6-4-3-5-7-18)23(28)26(2)15-17-9-12-20(24)13-10-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyRZXXEOFGIWCKGT-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 46410979
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
CID 26162821
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide (CID 55630306) is 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is RZXXEOFGIWCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-16-8-11-19(14-21(16)25-22(27)18-6-4-3-5-7-18)23(28)26(2)15-17-9-12-20(24)13-10-17/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide?
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 437.34 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 55630306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).