1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

C17H17ClN2O3 — CID 86862834

IUPAC1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCC2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-22-12-6-7-15(14(18)9-12)20-17(21)19-10-13-8-11-4-2-3-5-16(11)23-13/h2-7,9,13H,8,10H2,1H3,(H2,19,20,21)
InChIKeyRWUOSRHZMQWJKN-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (PubChem CID 86862834) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
PubChem CID86862834
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCC2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-22-12-6-7-15(14(18)9-12)20-17(21)19-10-13-8-11-4-2-3-5-16(11)23-13/h2-7,9,13H,8,10H2,1H3,(H2,19,20,21)
InChIKeyRWUOSRHZMQWJKN-UHFFFAOYSA-N
XLogP3.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116674
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(2-methoxyethoxy)phenyl]urea
CID 86841892
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35674467
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55695180
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea
CID 86870911
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
(E)-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]but-2-enamide
CID 42656668

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (CID 86862834) is 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is COc1ccc(NC(=O)NCC2Cc3ccccc3O2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The InChIKey is RWUOSRHZMQWJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-22-12-6-7-15(14(18)9-12)20-17(21)19-10-13-8-11-4-2-3-5-16(11)23-13/h2-7,9,13H,8,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea has a molecular weight of 332.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is sourced from PubChem (CID 86862834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).