1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea

C20H20ClN3O2 — CID 93071146

IUPAC1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)Nc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H20ClN3O2/c21-14-9-7-13(8-10-14)18-19(16-5-1-2-6-17(16)23-18)24-20(25)22-12-15-4-3-11-26-15/h1-2,5-10,15,23H,3-4,11-12H2,(H2,22,24,25)/t15-/m1/s1
InChIKeyDFHZFKNXQMIAFX-OAHLLOKOSA-N
MW369.85 g/mol
LogP4.79
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea

1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 93071146) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID93071146
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)Nc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H20ClN3O2/c21-14-9-7-13(8-10-14)18-19(16-5-1-2-6-17(16)23-18)24-20(25)22-12-15-4-3-11-26-15/h1-2,5-10,15,23H,3-4,11-12H2,(H2,22,24,25)/t15-/m1/s1
InChIKeyDFHZFKNXQMIAFX-OAHLLOKOSA-N
XLogP4.79
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 46381027
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94069805
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 93071146) is 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NC[C@H]1CCCO1)Nc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is DFHZFKNXQMIAFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-14-9-7-13(8-10-14)18-19(16-5-1-2-6-17(16)23-18)24-20(25)22-12-15-4-3-11-26-15/h1-2,5-10,15,23H,3-4,11-12H2,(H2,22,24,25)/t15-/m1/s1.
What are the key properties of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 369.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 93071146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).