1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea

C16H22FN3O2 — CID 119048905

IUPAC1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C16H22FN3O2/c17-15-11-13(3-4-14(15)12-1-2-12)19-16(21)18-5-6-20-7-9-22-10-8-20/h3-4,11-12H,1-2,5-10H2,(H2,18,19,21)
InChIKeyPSEPSEYFGISCIT-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea

1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 119048905) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID119048905
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C16H22FN3O2/c17-15-11-13(3-4-14(15)12-1-2-12)19-16(21)18-5-6-20-7-9-22-10-8-20/h3-4,11-12H,1-2,5-10H2,(H2,18,19,21)
InChIKeyPSEPSEYFGISCIT-UHFFFAOYSA-N
XLogP2.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305506
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545810

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea (CID 119048905) is 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)Nc1ccc(C2CC2)c(F)c1.
What is the InChIKey of 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is PSEPSEYFGISCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-15-11-13(3-4-14(15)12-1-2-12)19-16(21)18-5-6-20-7-9-22-10-8-20/h3-4,11-12H,1-2,5-10H2,(H2,18,19,21).
What are the key properties of 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 307.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 119048905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).