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

C18H16Br2N2O3 — CID 24587088

IUPACN-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H16Br2N2O3/c19-12-3-8-16(15(20)9-12)25-10-17(23)21-13-4-1-11(2-5-13)18(24)22-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,21,23)(H,22,24)
InChIKeyKDAYQSAUBDRSJB-UHFFFAOYSA-N
MW468.15 g/mol
LogP4.12
Rot. Bonds6

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

N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (PubChem CID 24587088) has the molecular formula C18H16Br2N2O3 and a molecular weight of 468.15 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
PubChem CID24587088
Molecular FormulaC18H16Br2N2O3
Molecular Weight468.15 g/mol
Exact Mass465.95
IUPAC NameN-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H16Br2N2O3/c19-12-3-8-16(15(20)9-12)25-10-17(23)21-13-4-1-11(2-5-13)18(24)22-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,21,23)(H,22,24)
InChIKeyKDAYQSAUBDRSJB-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.15
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
N-[4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508218
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9289895
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
3-methylbutyl 4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzoate
CID 19168857
5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28587804
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-[4-[[[2-(2,4-dibromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide
CID 4505741

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (CID 24587088) is N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is O=C(COc1ccc(Br)cc1Br)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The InChIKey is KDAYQSAUBDRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O3/c19-12-3-8-16(15(20)9-12)25-10-17(23)21-13-4-1-11(2-5-13)18(24)22-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,21,23)(H,22,24).
What are the key properties of N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide has a molecular weight of 468.15 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 24587088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).