3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide

C19H19BrCl2N2O3 — CID 17198929

IUPAC3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)c1
InChIInChI=1S/C19H19BrCl2N2O3/c1-3-11(2)23-19(26)12-5-4-6-14(7-12)24-17(25)10-27-18-15(20)8-13(21)9-16(18)22/h4-9,11H,3,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQODRCZCUJDWBAI-UHFFFAOYSA-N
MW474.18 g/mol
LogP5.30
Rot. Bonds7

About 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide

3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide (PubChem CID 17198929) has the molecular formula C19H19BrCl2N2O3 and a molecular weight of 474.18 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide
PubChem CID17198929
Molecular FormulaC19H19BrCl2N2O3
Molecular Weight474.18 g/mol
Exact Mass472.00
IUPAC Name3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)c1
InChIInChI=1S/C19H19BrCl2N2O3/c1-3-11(2)23-19(26)12-5-4-6-14(7-12)24-17(25)10-27-18-15(20)8-13(21)9-16(18)22/h4-9,11H,3,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQODRCZCUJDWBAI-UHFFFAOYSA-N
XLogP5.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.18
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
CID 54810789
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 17198813
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197394
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17096580
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide (CID 17198929) is 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide?
The InChIKey is QODRCZCUJDWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl2N2O3/c1-3-11(2)23-19(26)12-5-4-6-14(7-12)24-17(25)10-27-18-15(20)8-13(21)9-16(18)22/h4-9,11H,3,10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide?
3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide has a molecular weight of 474.18 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide is sourced from PubChem (CID 17198929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).