1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea

C19H19BrN2O — CID 15590276

IUPAC1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Br)cc1)C1C=CCC1
InChIInChI=1S/C19H19BrN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-4,6-8,10-13,18H,5,9,14H2,(H,21,23)
InChIKeyVBXCLBZJVWKVJT-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.20
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea

1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea (PubChem CID 15590276) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea
PubChem CID15590276
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Br)cc1)C1C=CCC1
InChIInChI=1S/C19H19BrN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-4,6-8,10-13,18H,5,9,14H2,(H,21,23)
InChIKeyVBXCLBZJVWKVJT-UHFFFAOYSA-N
XLogP5.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 13201307
N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide
CID 10870546
3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42697000
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
CID 11065293
1-[[4-(dimethylamino)phenyl]methyl]-1-(1,1-dioxothiolan-3-yl)-3-phenylurea
CID 18883799
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
benzyl-[(1S,2S)-2-[benzyl(carboxy)amino]cyclohex-3-en-1-yl]carbamic acid
CID 122441352
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine
CID 101487462
N-benzyl-2-[(4-bromophenyl)carbamoyl-cyclohexylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3913875

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea (CID 15590276) is 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea is O=C(Nc1ccccc1)N(Cc1ccc(Br)cc1)C1C=CCC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea?
The InChIKey is VBXCLBZJVWKVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-4,6-8,10-13,18H,5,9,14H2,(H,21,23).
What are the key properties of 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea?
1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea has a molecular weight of 371.28 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea is sourced from PubChem (CID 15590276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).