3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea

C25H25ClFN3O — CID 10137999

IUPAC3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea
SMILESCCCNCCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H25ClFN3O/c1-2-11-28-12-13-30(25(31)29-19-7-10-24(27)23(26)16-19)20-8-9-22-18(15-20)14-17-5-3-4-6-21(17)22/h3-10,15-16,28H,2,11-14H2,1H3,(H,29,31)
InChIKeyQKCYNQFRRRSXSS-UHFFFAOYSA-N
MW437.95 g/mol
LogP6.09
Rot. Bonds7

About 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea

3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea (PubChem CID 10137999) has the molecular formula C25H25ClFN3O and a molecular weight of 437.95 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea
PubChem CID10137999
Molecular FormulaC25H25ClFN3O
Molecular Weight437.95 g/mol
Exact Mass437.17
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea
SMILESCCCNCCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H25ClFN3O/c1-2-11-28-12-13-30(25(31)29-19-7-10-24(27)23(26)16-19)20-8-9-22-18(15-20)14-17-5-3-4-6-21(17)22/h3-10,15-16,28H,2,11-14H2,1H3,(H,29,31)
InChIKeyQKCYNQFRRRSXSS-UHFFFAOYSA-N
XLogP6.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10142464
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CID 11511671
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CID 11627700
CID 11627700
CID 11656805
CID 11656805
CID 11698276
CID 11698276
CID 23609204
CID 23609204
CID 44417989
CID 44417989
CID 2814681
CID 2814681
CID 11452967
CID 11452967
CID 44397937
CID 44397937

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea (CID 10137999) is 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea is CCCNCCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea?
The InChIKey is QKCYNQFRRRSXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O/c1-2-11-28-12-13-30(25(31)29-19-7-10-24(27)23(26)16-19)20-8-9-22-18(15-20)14-17-5-3-4-6-21(17)22/h3-10,15-16,28H,2,11-14H2,1H3,(H,29,31).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea?
3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea has a molecular weight of 437.95 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea is sourced from PubChem (CID 10137999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).