1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

C20H20ClN3O2 — CID 46381027

IUPAC1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C20H20ClN3O2/c21-15-5-8-18-14(10-15)11-19(24-18)13-3-6-16(7-4-13)23-20(25)22-12-17-2-1-9-26-17/h3-8,10-11,17,24H,1-2,9,12H2,(H2,22,23,25)
InChIKeyQORZZEJNMLJBHX-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.79
Rot. Bonds4

About 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 46381027) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID46381027
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C20H20ClN3O2/c21-15-5-8-18-14(10-15)11-19(24-18)13-3-6-16(7-4-13)23-20(25)22-12-17-2-1-9-26-17/h3-8,10-11,17,24H,1-2,9,12H2,(H2,22,23,25)
InChIKeyQORZZEJNMLJBHX-UHFFFAOYSA-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

1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
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-[2-(4-chlorophenyl)-1H-indol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 93071146
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
CID 46334596
1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56823088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (CID 46381027) is 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is QORZZEJNMLJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-5-8-18-14(10-15)11-19(24-18)13-3-6-16(7-4-13)23-20(25)22-12-17-2-1-9-26-17/h3-8,10-11,17,24H,1-2,9,12H2,(H2,22,23,25).
What are the key properties of 1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)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-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 46381027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).