3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea

C14H15ClN2O2 — CID 74227068

IUPAC3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCc1cccc(Cl)c1NC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H15ClN2O2/c1-10-5-3-7-12(15)13(10)16-14(18)17(2)9-11-6-4-8-19-11/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyXMSIYTQTJQCQQB-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.91
Rot. Bonds3

About 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea

3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 74227068) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID74227068
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCc1cccc(Cl)c1NC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H15ClN2O2/c1-10-5-3-7-12(15)13(10)16-14(18)17(2)9-11-6-4-8-19-11/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyXMSIYTQTJQCQQB-UHFFFAOYSA-N
XLogP3.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea (CID 74227068) is 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea is Cc1cccc(Cl)c1NC(=O)N(C)Cc1ccco1.
What is the InChIKey of 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is XMSIYTQTJQCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10-5-3-7-12(15)13(10)16-14(18)17(2)9-11-6-4-8-19-11/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 278.74 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 74227068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).