1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea

C18H19ClN2O3 — CID 110399695

IUPAC1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1cc2c(cc1OC)C(NC(=O)Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H19ClN2O3/c1-23-16-9-11-3-8-15(14(11)10-17(16)24-2)21-18(22)20-13-6-4-12(19)5-7-13/h4-7,9-10,15H,3,8H2,1-2H3,(H2,20,21,22)
InChIKeyOBJLEADWHDKVTE-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.17
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea

1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 110399695) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID110399695
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1cc2c(cc1OC)C(NC(=O)Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H19ClN2O3/c1-23-16-9-11-3-8-15(14(11)10-17(16)24-2)21-18(22)20-13-6-4-12(19)5-7-13/h4-7,9-10,15H,3,8H2,1-2H3,(H2,20,21,22)
InChIKeyOBJLEADWHDKVTE-UHFFFAOYSA-N
XLogP4.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
methyl 2-[(1R)-2-[(4-chlorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 9166517
(1R)-N-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 26791551
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 71462943
methyl 1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11847566
N-(4-chlorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 5070807
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
CID 126793549

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea (CID 110399695) is 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea is COc1cc2c(cc1OC)C(NC(=O)Nc1ccc(Cl)cc1)CC2.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is OBJLEADWHDKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-16-9-11-3-8-15(14(11)10-17(16)24-2)21-18(22)20-13-6-4-12(19)5-7-13/h4-7,9-10,15H,3,8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea?
1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 346.81 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 110399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).