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

C17H16Br2FN3O2 — CID 156854112

IUPAC2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H16Br2FN3O2/c1-2-5-21-16(24)14-4-3-12(20)9-15(14)23-17(25)22-13-7-10(18)6-11(19)8-13/h3-4,6-9H,2,5H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyBVMGNJNOFBFRHA-UHFFFAOYSA-N
MW473.14 g/mol
LogP5.13
Rot. Bonds5

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

2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide (PubChem CID 156854112) has the molecular formula C17H16Br2FN3O2 and a molecular weight of 473.14 g/mol. Its IUPAC name is 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
PubChem CID156854112
Molecular FormulaC17H16Br2FN3O2
Molecular Weight473.14 g/mol
Exact Mass470.96
IUPAC Name2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H16Br2FN3O2/c1-2-5-21-16(24)14-4-3-12(20)9-15(14)23-17(25)22-13-7-10(18)6-11(19)8-13/h3-4,6-9H,2,5H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyBVMGNJNOFBFRHA-UHFFFAOYSA-N
XLogP5.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.14
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 170692567
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
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
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
CID 156854203
2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 156854258
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
CID 166747489
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide?
The IUPAC name of 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide (CID 156854112) is 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide?
The canonical SMILES for 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide is CCCNC(=O)c1ccc(F)cc1NC(=O)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide?
The InChIKey is BVMGNJNOFBFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2FN3O2/c1-2-5-21-16(24)14-4-3-12(20)9-15(14)23-17(25)22-13-7-10(18)6-11(19)8-13/h3-4,6-9H,2,5H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide?
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide has a molecular weight of 473.14 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 156854112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).