N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide

C18H19BrN2O2 — CID 1368374

IUPACN-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O2/c1-18(2,3)17(23)21-15-6-4-5-12(11-15)16(22)20-14-9-7-13(19)8-10-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMJKJDRJARDDTKM-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.69
Rot. Bonds3

About N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide

N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 1368374) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID1368374
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O2/c1-18(2,3)17(23)21-15-6-4-5-12(11-15)16(22)20-14-9-7-13(19)8-10-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMJKJDRJARDDTKM-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
CID 17204543
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide (CID 1368374) is N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is MJKJDRJARDDTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-18(2,3)17(23)21-15-6-4-5-12(11-15)16(22)20-14-9-7-13(19)8-10-14/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 375.27 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 1368374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).