1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea

C17H17ClN2O2 — CID 129350678

IUPAC1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc21
InChIInChI=1S/C17H17ClN2O2/c18-14-7-5-12(6-8-14)9-19-17(21)20-10-13-11-22-16-4-2-1-3-15(13)16/h1-8,13H,9-11H2,(H2,19,20,21)/t13-/m1/s1
InChIKeyOVYCERCTMDYIHP-CYBMUJFWSA-N
MW316.79 g/mol
LogP3.32
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea

1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea (PubChem CID 129350678) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
PubChem CID129350678
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc21
InChIInChI=1S/C17H17ClN2O2/c18-14-7-5-12(6-8-14)9-19-17(21)20-10-13-11-22-16-4-2-1-3-15(13)16/h1-8,13H,9-11H2,(H2,19,20,21)/t13-/m1/s1
InChIKeyOVYCERCTMDYIHP-CYBMUJFWSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750917
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
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
3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide
CID 166305920
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 79226899

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea (CID 129350678) is 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea is O=C(NCc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea?
The InChIKey is OVYCERCTMDYIHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-14-7-5-12(6-8-14)9-19-17(21)20-10-13-11-22-16-4-2-1-3-15(13)16/h1-8,13H,9-11H2,(H2,19,20,21)/t13-/m1/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea has a molecular weight of 316.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea is sourced from PubChem (CID 129350678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).