3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide

C19H21BrN2O2 — CID 17204543

IUPAC3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-12-8-9-13(10-16(12)20)17(23)21-14-6-5-7-15(11-14)22-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeySQPYYQHRZGEBDT-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.99
Rot. Bonds3

About 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide

3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide (PubChem CID 17204543) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
PubChem CID17204543
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-12-8-9-13(10-16(12)20)17(23)21-14-6-5-7-15(11-14)22-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeySQPYYQHRZGEBDT-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17204631
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-hexoxybenzamide
CID 17204617
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide (CID 17204543) is 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide?
The InChIKey is SQPYYQHRZGEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-8-9-13(10-16(12)20)17(23)21-14-6-5-7-15(11-14)22-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide?
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide has a molecular weight of 389.29 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide is sourced from PubChem (CID 17204543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).