1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C18H21ClN2O3 — CID 111104244

IUPAC1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C18H21ClN2O3/c19-14-8-6-13(7-9-14)17(12-3-1-4-12)21-18(23)20-11-15(22)16-5-2-10-24-16/h2,5-10,12,15,17,22H,1,3-4,11H2,(H2,20,21,23)
InChIKeyGAJTYDNTIYXPQR-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.81
Rot. Bonds6

About 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 111104244) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID111104244
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C18H21ClN2O3/c19-14-8-6-13(7-9-14)17(12-3-1-4-12)21-18(23)20-11-15(22)16-5-2-10-24-16/h2,5-10,12,15,17,22H,1,3-4,11H2,(H2,20,21,23)
InChIKeyGAJTYDNTIYXPQR-UHFFFAOYSA-N
XLogP3.81
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505907
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]furan-2-carboxamide
CID 40919026
N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide
CID 72687983
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 71919597
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110893540
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 111104244) is 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccco1)NC(c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is GAJTYDNTIYXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c19-14-8-6-13(7-9-14)17(12-3-1-4-12)21-18(23)20-11-15(22)16-5-2-10-24-16/h2,5-10,12,15,17,22H,1,3-4,11H2,(H2,20,21,23).
What are the key properties of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 348.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111104244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).