1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride

C16H21BrClN3O — CID 11474671

IUPAC1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21.Cl
InChIInChI=1S/C16H20BrN3O.ClH/c1-9(2)18-16(21)20-14-5-3-4-11-12-8-10(17)6-7-13(12)19-15(11)14;/h6-9,14,19H,3-5H2,1-2H3,(H2,18,20,21);1H
InChIKeyCGCCDYQRVHCHPW-UHFFFAOYSA-N
MW386.72 g/mol
LogP4.44
Rot. Bonds2

About 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride

1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride (PubChem CID 11474671) has the molecular formula C16H21BrClN3O and a molecular weight of 386.72 g/mol. Its IUPAC name is 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
PubChem CID11474671
Molecular FormulaC16H21BrClN3O
Molecular Weight386.72 g/mol
Exact Mass385.06
IUPAC Name1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21.Cl
InChIInChI=1S/C16H20BrN3O.ClH/c1-9(2)18-16(21)20-14-5-3-4-11-12-8-10(17)6-7-13(12)19-15(11)14;/h6-9,14,19H,3-5H2,1-2H3,(H2,18,20,21);1H
InChIKeyCGCCDYQRVHCHPW-UHFFFAOYSA-N
XLogP4.44
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride?
The IUPAC name of 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride (CID 11474671) is 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride.
What is the SMILES notation for 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride?
The canonical SMILES for 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride is CC(C)NC(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21.Cl.
What is the InChIKey of 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride?
The InChIKey is CGCCDYQRVHCHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O.ClH/c1-9(2)18-16(21)20-14-5-3-4-11-12-8-10(17)6-7-13(12)19-15(11)14;/h6-9,14,19H,3-5H2,1-2H3,(H2,18,20,21);1H.
What are the key properties of 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride?
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride has a molecular weight of 386.72 g/mol, XLogP of 4.44, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride is sourced from PubChem (CID 11474671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).