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

C14H15ClN2O4 — CID 110903965

IUPAC1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C14H15ClN2O4/c1-20-13-9(15)4-2-5-10(13)17-14(19)16-8-11(18)12-6-3-7-21-12/h2-7,11,18H,8H2,1H3,(H2,16,17,19)
InChIKeyHLWKCRLENOGIPQ-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.80
Rot. Bonds5

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

1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 110903965) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID110903965
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C14H15ClN2O4/c1-20-13-9(15)4-2-5-10(13)17-14(19)16-8-11(18)12-6-3-7-21-12/h2-7,11,18H,8H2,1H3,(H2,16,17,19)
InChIKeyHLWKCRLENOGIPQ-UHFFFAOYSA-N
XLogP2.80
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111103684
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 71870363
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508519

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 110903965) is 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is COc1c(Cl)cccc1NC(=O)NCC(O)c1ccco1.
What is the InChIKey of 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is HLWKCRLENOGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-20-13-9(15)4-2-5-10(13)17-14(19)16-8-11(18)12-6-3-7-21-12/h2-7,11,18H,8H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 310.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110903965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).