N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide

C19H20Br2N2O3 — CID 4936441

IUPACN-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C19H20Br2N2O3/c1-19(2,3)23-18(25)13-6-4-5-7-15(13)22-17(24)11-26-16-9-8-12(20)10-14(16)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCTIDQSCFQPDUMX-UHFFFAOYSA-N
MW484.19 g/mol
LogP4.76
Rot. Bonds5

About N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide

N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (PubChem CID 4936441) has the molecular formula C19H20Br2N2O3 and a molecular weight of 484.19 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
PubChem CID4936441
Molecular FormulaC19H20Br2N2O3
Molecular Weight484.19 g/mol
Exact Mass481.98
IUPAC NameN-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C19H20Br2N2O3/c1-19(2,3)23-18(25)13-6-4-5-7-15(13)22-17(24)11-26-16-9-8-12(20)10-14(16)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCTIDQSCFQPDUMX-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.19
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
1-tert-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]thiourea
CID 26286565
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (CID 4936441) is N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The InChIKey is CTIDQSCFQPDUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O3/c1-19(2,3)23-18(25)13-6-4-5-7-15(13)22-17(24)11-26-16-9-8-12(20)10-14(16)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide has a molecular weight of 484.19 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-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4936441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).