1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C17H19ClN2O3 — CID 111444311

IUPAC1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN2O3/c18-13-4-1-3-12(9-13)17(6-7-17)11-20-16(22)19-10-14(21)15-5-2-8-23-15/h1-5,8-9,14,21H,6-7,10-11H2,(H2,19,20,22)
InChIKeyITINLEUINHJNFK-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.00
Rot. Bonds6

About 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 111444311) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID111444311
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN2O3/c18-13-4-1-3-12(9-13)17(6-7-17)11-20-16(22)19-10-14(21)15-5-2-8-23-15/h1-5,8-9,14,21H,6-7,10-11H2,(H2,19,20,22)
InChIKeyITINLEUINHJNFK-UHFFFAOYSA-N
XLogP3.00
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 86981034
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]furan-2-carboxamide
CID 110443400
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111986702
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618958
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111444506
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 111444311) is 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccco1)NCC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is ITINLEUINHJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-13-4-1-3-12(9-13)17(6-7-17)11-20-16(22)19-10-14(21)15-5-2-8-23-15/h1-5,8-9,14,21H,6-7,10-11H2,(H2,19,20,22).
What are the key properties of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 334.80 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111444311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).