3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide

C18H20BrNO2 — CID 17355169

IUPAC3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H20BrNO2/c1-11(2)22-17-8-6-14(10-15(17)19)18(21)20-16-7-5-12(3)9-13(16)4/h5-11H,1-4H3,(H,20,21)
InChIKeyYIBLDQUHPLAXAT-UHFFFAOYSA-N
MW362.27 g/mol
LogP5.11
Rot. Bonds4

About 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide

3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide (PubChem CID 17355169) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
PubChem CID17355169
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H20BrNO2/c1-11(2)22-17-8-6-14(10-15(17)19)18(21)20-16-7-5-12(3)9-13(16)4/h5-11H,1-4H3,(H,20,21)
InChIKeyYIBLDQUHPLAXAT-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
CID 54793446
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823
5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 54784461
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide (CID 17355169) is 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide is Cc1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)c(C)c1.
What is the InChIKey of 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is YIBLDQUHPLAXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-11(2)22-17-8-6-14(10-15(17)19)18(21)20-16-7-5-12(3)9-13(16)4/h5-11H,1-4H3,(H,20,21).
What are the key properties of 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide?
3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide has a molecular weight of 362.27 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17355169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).