1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

C15H17ClN2O4 — CID 111474361

IUPAC1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(O)c2ccco2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O4/c1-15(20,13-4-3-7-22-13)9-17-14(19)18-12-6-5-10(21-2)8-11(12)16/h3-8,20H,9H2,1-2H3,(H2,17,18,19)
InChIKeyHCYKIRCDLIEMNE-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 111474361) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID111474361
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(O)c2ccco2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O4/c1-15(20,13-4-3-7-22-13)9-17-14(19)18-12-6-5-10(21-2)8-11(12)16/h3-8,20H,9H2,1-2H3,(H2,17,18,19)
InChIKeyHCYKIRCDLIEMNE-UHFFFAOYSA-N
XLogP2.97
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 71870363
3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
CID 86862773
1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95983787
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 111474361) is 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is COc1ccc(NC(=O)NCC(C)(O)c2ccco2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is HCYKIRCDLIEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-15(20,13-4-3-7-22-13)9-17-14(19)18-12-6-5-10(21-2)8-11(12)16/h3-8,20H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 324.76 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 111474361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).