3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea

C16H23FN2O2 — CID 110896534

IUPAC3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-9-19(10-11-20)15(21)18-12-16(7-8-16)13-3-5-14(17)6-4-13/h3-6,20H,2,7-12H2,1H3,(H,18,21)
InChIKeyJLLBEOOZVGKCQC-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.27
Rot. Bonds7

About 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea

3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110896534) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110896534
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-9-19(10-11-20)15(21)18-12-16(7-8-16)13-3-5-14(17)6-4-13/h3-6,20H,2,7-12H2,1H3,(H,18,21)
InChIKeyJLLBEOOZVGKCQC-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-pentylurea
CID 78885818
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504896
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
CID 110477965

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea (CID 110896534) is 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is JLLBEOOZVGKCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-9-19(10-11-20)15(21)18-12-16(7-8-16)13-3-5-14(17)6-4-13/h3-6,20H,2,7-12H2,1H3,(H,18,21).
What are the key properties of 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 294.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).