1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

C15H21FN2O2 — CID 111833784

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCC1(CNC(=O)NCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-15(7-8-15)10-18-14(20)17-9-13(19)11-3-5-12(16)6-4-11/h3-6,13,19H,2,7-10H2,1H3,(H2,17,18,20)
InChIKeyKWJHTTLZPXSVMK-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.35
Rot. Bonds6

About 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 111833784) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID111833784
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCC1(CNC(=O)NCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-15(7-8-15)10-18-14(20)17-9-13(19)11-3-5-12(16)6-4-11/h3-6,13,19H,2,7-10H2,1H3,(H2,17,18,20)
InChIKeyKWJHTTLZPXSVMK-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110893336
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111482920
N-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]phenyl]-2-methylbutanamide
CID 87005981
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
1-(4-fluorophenyl)-2-[(1-methylcyclopentyl)methylamino]ethanol
CID 63821700
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 111833784) is 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is CCC1(CNC(=O)NCC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is KWJHTTLZPXSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-15(7-8-15)10-18-14(20)17-9-13(19)11-3-5-12(16)6-4-11/h3-6,13,19H,2,7-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111833784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).