N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide

C19H21BrN2O3 — CID 54777470

IUPACN-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc(Br)ccc2OC(C)C)ccc1C
InChIInChI=1S/C19H21BrN2O3/c1-11(2)25-18-8-6-14(20)9-16(18)19(24)22-15-7-5-12(3)17(10-15)21-13(4)23/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyDQDVEMYYUGZWQL-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.76
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide

N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide (PubChem CID 54777470) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide
PubChem CID54777470
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc(Br)ccc2OC(C)C)ccc1C
InChIInChI=1S/C19H21BrN2O3/c1-11(2)25-18-8-6-14(20)9-16(18)19(24)22-15-7-5-12(3)17(10-15)21-13(4)23/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyDQDVEMYYUGZWQL-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide
CID 17051536
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 54784461
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
CID 17051555
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17251819
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide (CID 54777470) is N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide is CC(=O)Nc1cc(NC(=O)c2cc(Br)ccc2OC(C)C)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide?
The InChIKey is DQDVEMYYUGZWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-11(2)25-18-8-6-14(20)9-16(18)19(24)22-15-7-5-12(3)17(10-15)21-13(4)23/h5-11H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide?
N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide has a molecular weight of 405.29 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide is sourced from PubChem (CID 54777470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).