1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea

C19H21BrN2O2 — CID 86973251

IUPAC1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESO=C(NCCCc1ccc(O)cc1)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O2/c20-16-7-5-15(6-8-16)19(11-12-19)22-18(24)21-13-1-2-14-3-9-17(23)10-4-14/h3-10,23H,1-2,11-13H2,(H2,21,22,24)
InChIKeyGMATWJQPLIPWII-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.08
Rot. Bonds6

About 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea

1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea (PubChem CID 86973251) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
PubChem CID86973251
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESO=C(NCCCc1ccc(O)cc1)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O2/c20-16-7-5-15(6-8-16)19(11-12-19)22-18(24)21-13-1-2-14-3-9-17(23)10-4-14/h3-10,23H,1-2,11-13H2,(H2,21,22,24)
InChIKeyGMATWJQPLIPWII-UHFFFAOYSA-N
XLogP4.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea (CID 86973251) is 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea is O=C(NCCCc1ccc(O)cc1)NC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The InChIKey is GMATWJQPLIPWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-16-7-5-15(6-8-16)19(11-12-19)22-18(24)21-13-1-2-14-3-9-17(23)10-4-14/h3-10,23H,1-2,11-13H2,(H2,21,22,24).
What are the key properties of 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea has a molecular weight of 389.29 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(4-hydroxyphenyl)propyl]urea is sourced from PubChem (CID 86973251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).