N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide

C16H16Br2N4O2 — CID 156854171

IUPACN-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2N4O2/c17-10-7-11(18)9-12(8-10)21-16(24)22-14-4-2-1-3-13(14)15(23)20-6-5-19/h1-4,7-9H,5-6,19H2,(H,20,23)(H2,21,22,24)
InChIKeyTZDOHVDZUTZKQG-UHFFFAOYSA-N
MW456.14 g/mol
LogP3.54
Rot. Bonds5

About N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide

N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide (PubChem CID 156854171) has the molecular formula C16H16Br2N4O2 and a molecular weight of 456.14 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
PubChem CID156854171
Molecular FormulaC16H16Br2N4O2
Molecular Weight456.14 g/mol
Exact Mass453.96
IUPAC NameN-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2N4O2/c17-10-7-11(18)9-12(8-10)21-16(24)22-14-4-2-1-3-13(14)15(23)20-6-5-19/h1-4,7-9H,5-6,19H2,(H,20,23)(H2,21,22,24)
InChIKeyTZDOHVDZUTZKQG-UHFFFAOYSA-N
XLogP3.54
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.14
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854074
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854234
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 170692567
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide (CID 156854171) is N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide is NCCNC(=O)c1ccccc1NC(=O)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The InChIKey is TZDOHVDZUTZKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N4O2/c17-10-7-11(18)9-12(8-10)21-16(24)22-14-4-2-1-3-13(14)15(23)20-6-5-19/h1-4,7-9H,5-6,19H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide has a molecular weight of 456.14 g/mol, XLogP of 3.54, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 156854171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).