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

C16H14Br3N3O3 — CID 156854234

IUPAC4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(Nc1cc(Br)cc(Br)c1)Nc1cc(Br)ccc1C(=O)NCCO
InChIInChI=1S/C16H14Br3N3O3/c17-9-1-2-13(15(24)20-3-4-23)14(8-9)22-16(25)21-12-6-10(18)5-11(19)7-12/h1-2,5-8,23H,3-4H2,(H,20,24)(H2,21,22,25)
InChIKeyNYINBILULMPKCF-UHFFFAOYSA-N
MW536.02 g/mol
LogP4.34
Rot. Bonds5

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

4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 156854234) has the molecular formula C16H14Br3N3O3 and a molecular weight of 536.02 g/mol. Its IUPAC name is 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID156854234
Molecular FormulaC16H14Br3N3O3
Molecular Weight536.02 g/mol
Exact Mass532.86
IUPAC Name4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(Nc1cc(Br)cc(Br)c1)Nc1cc(Br)ccc1C(=O)NCCO
InChIInChI=1S/C16H14Br3N3O3/c17-9-1-2-13(15(24)20-3-4-23)14(8-9)22-16(25)21-12-6-10(18)5-11(19)7-12/h1-2,5-8,23H,3-4H2,(H,20,24)(H2,21,22,25)
InChIKeyNYINBILULMPKCF-UHFFFAOYSA-N
XLogP4.34
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.02
LogP ≤ 54.34
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-propylbenzamide
CID 170692567
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747514
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 156854108
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
2-[(3-bromophenyl)carbamoylamino]-N-(3-hydroxypropyl)-4-(trifluoromethoxy)benzamide
CID 170692568
2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 156854258
4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854180
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854205
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide (CID 156854234) is 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide is O=C(Nc1cc(Br)cc(Br)c1)Nc1cc(Br)ccc1C(=O)NCCO.
What is the InChIKey of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is NYINBILULMPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br3N3O3/c17-9-1-2-13(15(24)20-3-4-23)14(8-9)22-16(25)21-12-6-10(18)5-11(19)7-12/h1-2,5-8,23H,3-4H2,(H,20,24)(H2,21,22,25).
What are the key properties of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 536.02 g/mol, XLogP of 4.34, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 156854234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).