4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C17H17BrN2O2 — CID 42120723

IUPAC4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11(2)16(21)19-14-7-9-15(10-8-14)20-17(22)12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXZBAXKLWQZLMCY-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.30
Rot. Bonds4

About 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide

4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 42120723) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID42120723
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11(2)16(21)19-14-7-9-15(10-8-14)20-17(22)12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXZBAXKLWQZLMCY-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
CID 86857816

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 42120723) is 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is XZBAXKLWQZLMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11(2)16(21)19-14-7-9-15(10-8-14)20-17(22)12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 42120723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).