N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide

C24H23BrN2O2 — CID 3100149

IUPACN-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H23BrN2O2/c1-24(2,3)18-11-7-16(8-12-18)22(28)26-20-5-4-6-21(15-20)27-23(29)17-9-13-19(25)14-10-17/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyKTZLAPZLXVFXMC-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.25
Rot. Bonds4

About N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide

N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide (PubChem CID 3100149) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
PubChem CID3100149
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC NameN-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H23BrN2O2/c1-24(2,3)18-11-7-16(8-12-18)22(28)26-20-5-4-6-21(15-20)27-23(29)17-9-13-19(25)14-10-17/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyKTZLAPZLXVFXMC-UHFFFAOYSA-N
XLogP6.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(4-bromobenzoyl)carbamothioylamino]phenyl]-4-tert-butylbenzamide
CID 23101013
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 2246745
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
3-[[4-bromo-2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]benzoic acid
CID 118714641
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide (CID 3100149) is N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide?
The InChIKey is KTZLAPZLXVFXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-24(2,3)18-11-7-16(8-12-18)22(28)26-20-5-4-6-21(15-20)27-23(29)17-9-13-19(25)14-10-17/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide?
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide has a molecular weight of 451.36 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 3100149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).