N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide

C16H15Br3N4O2 — CID 156854074

IUPACN-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
SMILESNCCNC(=O)c1ccc(Br)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br3N4O2/c17-9-1-2-13(15(24)21-4-3-20)14(8-9)23-16(25)22-12-6-10(18)5-11(19)7-12/h1-2,5-8H,3-4,20H2,(H,21,24)(H2,22,23,25)
InChIKeyUBMWHIXPKYBGHH-UHFFFAOYSA-N
MW535.03 g/mol
LogP4.31
Rot. Bonds5

About N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide

N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide (PubChem CID 156854074) has the molecular formula C16H15Br3N4O2 and a molecular weight of 535.03 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
PubChem CID156854074
Molecular FormulaC16H15Br3N4O2
Molecular Weight535.03 g/mol
Exact Mass531.87
IUPAC NameN-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
SMILESNCCNC(=O)c1ccc(Br)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br3N4O2/c17-9-1-2-13(15(24)21-4-3-20)14(8-9)23-16(25)22-12-6-10(18)5-11(19)7-12/h1-2,5-8H,3-4,20H2,(H,21,24)(H2,22,23,25)
InChIKeyUBMWHIXPKYBGHH-UHFFFAOYSA-N
XLogP4.31
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.03
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854234
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 170692567
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747514
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854286
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854205
N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854090
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 156854108
2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 156854258

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide (CID 156854074) is N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide is NCCNC(=O)c1ccc(Br)cc1NC(=O)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
The InChIKey is UBMWHIXPKYBGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br3N4O2/c17-9-1-2-13(15(24)21-4-3-20)14(8-9)23-16(25)22-12-6-10(18)5-11(19)7-12/h1-2,5-8H,3-4,20H2,(H,21,24)(H2,22,23,25).
What are the key properties of N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide?
N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide has a molecular weight of 535.03 g/mol, XLogP of 4.31, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 156854074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).