1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea

C19H16BrFN4O3 — CID 71572374

IUPAC1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea
SMILESO=C(Nc1ccc(Br)cc1F)NN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C19H16BrFN4O3/c20-13-5-6-15(14(21)9-13)22-17(27)24-25-16(26)19(23-18(25)28)8-7-11-3-1-2-4-12(11)10-19/h1-6,9H,7-8,10H2,(H,23,28)(H2,22,24,27)
InChIKeyQDVLADUWHPTMIW-UHFFFAOYSA-N
MW447.26 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea

1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea (PubChem CID 71572374) has the molecular formula C19H16BrFN4O3 and a molecular weight of 447.26 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea
PubChem CID71572374
Molecular FormulaC19H16BrFN4O3
Molecular Weight447.26 g/mol
Exact Mass446.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea
SMILESO=C(Nc1ccc(Br)cc1F)NN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C19H16BrFN4O3/c20-13-5-6-15(14(21)9-13)22-17(27)24-25-16(26)19(23-18(25)28)8-7-11-3-1-2-4-12(11)10-19/h1-6,9H,7-8,10H2,(H,23,28)(H2,22,24,27)
InChIKeyQDVLADUWHPTMIW-UHFFFAOYSA-N
XLogP3.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.26
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(4-fluorophenyl)acetamide
CID 3662145
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
2-(7-bromo-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetic acid
CID 63633057
sodium 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylate
CID 166434949
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
CID 2985483
1-(4-bromo-2-fluorophenyl)-3-[4-[(4-methoxyphenyl)methoxymethyl]-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]urea
CID 71572835
6-[2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]-4-ethyl-2,5-dioxoimidazolidin-4-yl]ethyl]-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 122512449
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
N-(2,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2429438
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea (CID 71572374) is 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea is O=C(Nc1ccc(Br)cc1F)NN1C(=O)NC2(CCc3ccccc3C2)C1=O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea?
The InChIKey is QDVLADUWHPTMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN4O3/c20-13-5-6-15(14(21)9-13)22-17(27)24-25-16(26)19(23-18(25)28)8-7-11-3-1-2-4-12(11)10-19/h1-6,9H,7-8,10H2,(H,23,28)(H2,22,24,27).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea?
1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea has a molecular weight of 447.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)urea is sourced from PubChem (CID 71572374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).