1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea

C16H15ClN2O2 — CID 110750917

IUPAC1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O2/c17-12-4-3-5-13(8-12)19-16(20)18-9-11-10-21-15-7-2-1-6-14(11)15/h1-8,11H,9-10H2,(H2,18,19,20)
InChIKeyJKKTWKBNQSAMIL-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.64
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea

1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea (PubChem CID 110750917) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
PubChem CID110750917
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O2/c17-12-4-3-5-13(8-12)19-16(20)18-9-11-10-21-15-7-2-1-6-14(11)15/h1-8,11H,9-10H2,(H2,18,19,20)
InChIKeyJKKTWKBNQSAMIL-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
CID 129350678
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 166321692
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 154837816
1-(3-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 108870211
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea (CID 110750917) is 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea is O=C(NCC1COc2ccccc21)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
The InChIKey is JKKTWKBNQSAMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-4-3-5-13(8-12)19-16(20)18-9-11-10-21-15-7-2-1-6-14(11)15/h1-8,11H,9-10H2,(H2,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea has a molecular weight of 302.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea is sourced from PubChem (CID 110750917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).