2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide

C20H24BrNO — CID 102224018

IUPAC2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
SMILESCc1ccc(-c2ccc(Br)c(C(=O)N(C(C)C)C(C)C)c2)cc1
InChIInChI=1S/C20H24BrNO/c1-13(2)22(14(3)4)20(23)18-12-17(10-11-19(18)21)16-8-6-15(5)7-9-16/h6-14H,1-5H3
InChIKeyRZEDTOIOJPIPGJ-UHFFFAOYSA-N
MW374.32 g/mol
LogP5.68
Rot. Bonds4

About 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide

2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide (PubChem CID 102224018) has the molecular formula C20H24BrNO and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
PubChem CID102224018
Molecular FormulaC20H24BrNO
Molecular Weight374.32 g/mol
Exact Mass373.10
IUPAC Name2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
SMILESCc1ccc(-c2ccc(Br)c(C(=O)N(C(C)C)C(C)C)c2)cc1
InChIInChI=1S/C20H24BrNO/c1-13(2)22(14(3)4)20(23)18-12-17(10-11-19(18)21)16-8-6-15(5)7-9-16/h6-14H,1-5H3
InChIKeyRZEDTOIOJPIPGJ-UHFFFAOYSA-N
XLogP5.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 80979920
methyl 2-[di(propan-2-yl)carbamoyl]-4-phenylbenzoate
CID 102219452
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
1-(2-bromo-5-methylphenyl)-2,3-dimethylbutan-1-one
CID 130674056
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide (CID 102224018) is 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide is Cc1ccc(-c2ccc(Br)c(C(=O)N(C(C)C)C(C)C)c2)cc1.
What is the InChIKey of 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is RZEDTOIOJPIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO/c1-13(2)22(14(3)4)20(23)18-12-17(10-11-19(18)21)16-8-6-15(5)7-9-16/h6-14H,1-5H3.
What are the key properties of 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide?
2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 374.32 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 102224018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).