1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea

C33H28ClN5O2 — CID 10303158

IUPAC1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea
SMILESO=C(Nc1ccc2c(c1)C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2)Nc1ccccc1Cl
InChIInChI=1S/C33H28ClN5O2/c34-28-7-3-4-8-30(28)37-33(41)36-23-10-11-25-24-5-1-2-6-26(24)31(27(25)20-23)38-15-17-39(18-16-38)32(40)22-9-12-29-21(19-22)13-14-35-29/h1-14,19-20,31,35H,15-18H2,(H2,36,37,41)
InChIKeyBHNZZSFXQWEFSM-UHFFFAOYSA-N
MW562.07 g/mol
LogP6.99
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea

1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea (PubChem CID 10303158) has the molecular formula C33H28ClN5O2 and a molecular weight of 562.07 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea
PubChem CID10303158
Molecular FormulaC33H28ClN5O2
Molecular Weight562.07 g/mol
Exact Mass561.19
IUPAC Name1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea
SMILESO=C(Nc1ccc2c(c1)C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2)Nc1ccccc1Cl
InChIInChI=1S/C33H28ClN5O2/c34-28-7-3-4-8-30(28)37-33(41)36-23-10-11-25-24-5-1-2-6-26(24)31(27(25)20-23)38-15-17-39(18-16-38)32(40)22-9-12-29-21(19-22)13-14-35-29/h1-14,19-20,31,35H,15-18H2,(H2,36,37,41)
InChIKeyBHNZZSFXQWEFSM-UHFFFAOYSA-N
XLogP6.99
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.07
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea (CID 10303158) is 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea is O=C(Nc1ccc2c(c1)C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea?
The InChIKey is BHNZZSFXQWEFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN5O2/c34-28-7-3-4-8-30(28)37-33(41)36-23-10-11-25-24-5-1-2-6-26(24)31(27(25)20-23)38-15-17-39(18-16-38)32(40)22-9-12-29-21(19-22)13-14-35-29/h1-14,19-20,31,35H,15-18H2,(H2,36,37,41).
What are the key properties of 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea?
1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea has a molecular weight of 562.07 g/mol, XLogP of 6.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]urea is sourced from PubChem (CID 10303158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).