1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

C19H23FN2O3 — CID 71919597

IUPAC1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESCC(CC(O)c1ccco1)NC(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H23FN2O3/c1-12(11-16(23)17-3-2-10-25-17)21-19(24)22-18(13-4-5-13)14-6-8-15(20)9-7-14/h2-3,6-10,12-13,16,18,23H,4-5,11H2,1H3,(H2,21,22,24)
InChIKeyYOJFZBZGVIGODK-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.68
Rot. Bonds7

About 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (PubChem CID 71919597) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
PubChem CID71919597
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESCC(CC(O)c1ccco1)NC(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H23FN2O3/c1-12(11-16(23)17-3-2-10-25-17)21-19(24)22-18(13-4-5-13)14-6-8-15(20)9-7-14/h2-3,6-10,12-13,16,18,23H,4-5,11H2,1H3,(H2,21,22,24)
InChIKeyYOJFZBZGVIGODK-UHFFFAOYSA-N
XLogP3.68
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea with MolForge

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Related Compounds

1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea
CID 109499900
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111104244
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 41200264
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225040
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 111432073
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 97320817

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (CID 71919597) is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is CC(CC(O)c1ccco1)NC(=O)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The InChIKey is YOJFZBZGVIGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-12(11-16(23)17-3-2-10-25-17)21-19(24)22-18(13-4-5-13)14-6-8-15(20)9-7-14/h2-3,6-10,12-13,16,18,23H,4-5,11H2,1H3,(H2,21,22,24).
What are the key properties of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea has a molecular weight of 346.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 71919597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).