N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide

C17H18BrNO — CID 60628421

IUPACN-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H18BrNO/c1-12-4-9-16(13(2)10-12)17(20)19(3)11-14-5-7-15(18)8-6-14/h4-10H,11H2,1-3H3
InChIKeyDNXWJLIHLSWCNJ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.34
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide

N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide (PubChem CID 60628421) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
PubChem CID60628421
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H18BrNO/c1-12-4-9-16(13(2)10-12)17(20)19(3)11-14-5-7-15(18)8-6-14/h4-10H,11H2,1-3H3
InChIKeyDNXWJLIHLSWCNJ-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 55833445
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide (CID 60628421) is N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide?
The InChIKey is DNXWJLIHLSWCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-4-9-16(13(2)10-12)17(20)19(3)11-14-5-7-15(18)8-6-14/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide?
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide is sourced from PubChem (CID 60628421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).