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

C17H16Br3N3O2 — CID 170692567

IUPAC4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Br)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H16Br3N3O2/c1-2-5-21-16(24)14-4-3-10(18)9-15(14)23-17(25)22-13-7-11(19)6-12(20)8-13/h3-4,6-9H,2,5H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyHXLLBWQBVMCJSJ-UHFFFAOYSA-N
MW534.05 g/mol
LogP5.76
Rot. Bonds5

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

4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide (PubChem CID 170692567) has the molecular formula C17H16Br3N3O2 and a molecular weight of 534.05 g/mol. Its IUPAC name is 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
PubChem CID170692567
Molecular FormulaC17H16Br3N3O2
Molecular Weight534.05 g/mol
Exact Mass530.88
IUPAC Name4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Br)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H16Br3N3O2/c1-2-5-21-16(24)14-4-3-10(18)9-15(14)23-17(25)22-13-7-11(19)6-12(20)8-13/h3-4,6-9H,2,5H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyHXLLBWQBVMCJSJ-UHFFFAOYSA-N
XLogP5.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.05
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
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
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747514
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 156854258
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 156854108
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide?
The IUPAC name of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide (CID 170692567) is 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(Br)cc1NC(=O)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide?
The InChIKey is HXLLBWQBVMCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br3N3O2/c1-2-5-21-16(24)14-4-3-10(18)9-15(14)23-17(25)22-13-7-11(19)6-12(20)8-13/h3-4,6-9H,2,5H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide?
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide has a molecular weight of 534.05 g/mol, XLogP of 5.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 170692567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).