2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide

C17H14Br2F3N3O3 — CID 156854258

IUPAC2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
SMILESCCNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H14Br2F3N3O3/c1-2-23-15(26)13-4-3-12(28-17(20,21)22)8-14(13)25-16(27)24-11-6-9(18)5-10(19)7-11/h3-8H,2H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyBLPAWZUSAUTJNT-UHFFFAOYSA-N
MW525.12 g/mol
LogP5.50
Rot. Bonds5

About 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide

2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide (PubChem CID 156854258) has the molecular formula C17H14Br2F3N3O3 and a molecular weight of 525.12 g/mol. Its IUPAC name is 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
PubChem CID156854258
Molecular FormulaC17H14Br2F3N3O3
Molecular Weight525.12 g/mol
Exact Mass522.94
IUPAC Name2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
SMILESCCNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H14Br2F3N3O3/c1-2-23-15(26)13-4-3-12(28-17(20,21)22)8-14(13)25-16(27)24-11-6-9(18)5-10(19)7-11/h3-8H,2H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyBLPAWZUSAUTJNT-UHFFFAOYSA-N
XLogP5.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.12
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromophenyl)carbamoylamino]-N-(3-hydroxypropyl)-4-(trifluoromethoxy)benzamide
CID 170692568
1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747484
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 170692567
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747520
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854234
N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854074
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
CID 156854184
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854286

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide (CID 156854258) is 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide is CCNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide?
The InChIKey is BLPAWZUSAUTJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2F3N3O3/c1-2-23-15(26)13-4-3-12(28-17(20,21)22)8-14(13)25-16(27)24-11-6-9(18)5-10(19)7-11/h3-8H,2H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide?
2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide has a molecular weight of 525.12 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156854258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).