1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea

C19H18FN3O — CID 108886865

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-5-3-15(4-6-16)11-12-21-19(24)22-17-7-9-18(10-8-17)23-13-1-2-14-23/h1-10,13-14H,11-12H2,(H2,21,22,24)
InChIKeyGXSNAPJWYNAXAD-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.98
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea

1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea (PubChem CID 108886865) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
PubChem CID108886865
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-5-3-15(4-6-16)11-12-21-19(24)22-17-7-9-18(10-8-17)23-13-1-2-14-23/h1-10,13-14H,11-12H2,(H2,21,22,24)
InChIKeyGXSNAPJWYNAXAD-UHFFFAOYSA-N
XLogP3.98
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
CID 47154313
1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108902143
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
1-[2-(4-fluorophenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871934
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
6-[(4-pyrrol-1-ylphenyl)carbamoylamino]hexanoic acid
CID 108886670
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30101688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea (CID 108886865) is 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea is O=C(NCCc1ccc(F)cc1)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea?
The InChIKey is GXSNAPJWYNAXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-5-3-15(4-6-16)11-12-21-19(24)22-17-7-9-18(10-8-17)23-13-1-2-14-23/h1-10,13-14H,11-12H2,(H2,21,22,24).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea?
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea has a molecular weight of 323.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 108886865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).