1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C17H23FN2O2 — CID 111109592

IUPAC1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H23FN2O2/c18-14-7-5-13(6-8-14)15(12-3-4-12)20-16(21)19-11-17(22)9-1-2-10-17/h5-8,12,15,22H,1-4,9-11H2,(H2,19,20,21)
InChIKeyROTCCXHGWCNILT-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.88
Rot. Bonds5

About 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea

1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111109592) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111109592
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H23FN2O2/c18-14-7-5-13(6-8-14)15(12-3-4-12)20-16(21)19-11-17(22)9-1-2-10-17/h5-8,12,15,22H,1-4,9-11H2,(H2,19,20,21)
InChIKeyROTCCXHGWCNILT-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 95977808
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981475
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506132
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111109592) is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1(O)CCCC1)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is ROTCCXHGWCNILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-7-5-13(6-8-14)15(12-3-4-12)20-16(21)19-11-17(22)9-1-2-10-17/h5-8,12,15,22H,1-4,9-11H2,(H2,19,20,21).
What are the key properties of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 306.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111109592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).