1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C14H15ClN2O3 — CID 86980282

IUPAC1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCc1ccc(NC(=O)NCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-9-4-5-10(7-11(9)15)17-14(19)16-8-12(18)13-3-2-6-20-13/h2-7,12,18H,8H2,1H3,(H2,16,17,19)
InChIKeyMDHMWRFPQBPGQZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.10
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 86980282) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID86980282
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCc1ccc(NC(=O)NCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-9-4-5-10(7-11(9)15)17-14(19)16-8-12(18)13-3-2-6-20-13/h2-7,12,18H,8H2,1H3,(H2,16,17,19)
InChIKeyMDHMWRFPQBPGQZ-UHFFFAOYSA-N
XLogP3.10
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
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
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea
CID 121145780
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 86980282) is 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is Cc1ccc(NC(=O)NCC(O)c2ccco2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is MDHMWRFPQBPGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-4-5-10(7-11(9)15)17-14(19)16-8-12(18)13-3-2-6-20-13/h2-7,12,18H,8H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 294.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 86980282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).