1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea

C14H15ClN2O2 — CID 38285214

IUPAC1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C14H15ClN2O2/c1-10-5-6-13(19-10)7-8-16-14(18)17-12-4-2-3-11(15)9-12/h2-6,9H,7-8H2,1H3,(H2,16,17,18)
InChIKeyXIIYPRNUXUYJPL-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.61
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 38285214) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea
PubChem CID38285214
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C14H15ClN2O2/c1-10-5-6-13(19-10)7-8-16-14(18)17-12-4-2-3-11(15)9-12/h2-6,9H,7-8H2,1H3,(H2,16,17,18)
InChIKeyXIIYPRNUXUYJPL-UHFFFAOYSA-N
XLogP3.61
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 118785479
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 17436769
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
1-(2-azidoethyl)-3-(3-chlorophenyl)urea
CID 61342512
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea (CID 38285214) is 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(CCNC(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is XIIYPRNUXUYJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10-5-6-13(19-10)7-8-16-14(18)17-12-4-2-3-11(15)9-12/h2-6,9H,7-8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 278.74 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 38285214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).