1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea

C20H20FN3O — CID 46381066

IUPAC1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)NC1CCCC1
InChIInChI=1S/C20H20FN3O/c21-15-7-10-18-14(11-15)12-19(24-18)13-5-8-17(9-6-13)23-20(25)22-16-3-1-2-4-16/h5-12,16,24H,1-4H2,(H2,22,23,25)
InChIKeyIYPGJDSRDKCIPW-UHFFFAOYSA-N
MW337.40 g/mol
LogP5.04
Rot. Bonds3

About 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea

1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea (PubChem CID 46381066) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
PubChem CID46381066
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)NC1CCCC1
InChIInChI=1S/C20H20FN3O/c21-15-7-10-18-14(11-15)12-19(24-18)13-5-8-17(9-6-13)23-20(25)22-16-3-1-2-4-16/h5-12,16,24H,1-4H2,(H2,22,23,25)
InChIKeyIYPGJDSRDKCIPW-UHFFFAOYSA-N
XLogP5.04
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.40
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 46381077
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 115645017
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea (CID 46381066) is 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea is O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The InChIKey is IYPGJDSRDKCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-15-7-10-18-14(11-15)12-19(24-18)13-5-8-17(9-6-13)23-20(25)22-16-3-1-2-4-16/h5-12,16,24H,1-4H2,(H2,22,23,25).
What are the key properties of 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea has a molecular weight of 337.40 g/mol, XLogP of 5.04, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46381066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).