1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea

C16H14Cl2N2O — CID 9350005

IUPAC1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NC1Cc2ccccc2C1
InChIInChI=1S/C16H14Cl2N2O/c17-14-6-5-12(9-15(14)18)19-16(21)20-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,19,20,21)
InChIKeySKMWRSFIXKTEFL-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.28
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea

1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 9350005) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
PubChem CID9350005
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NC1Cc2ccccc2C1
InChIInChI=1S/C16H14Cl2N2O/c17-14-6-5-12(9-15(14)18)19-16(21)20-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,19,20,21)
InChIKeySKMWRSFIXKTEFL-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43652933
1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenoxyphenyl)urea
CID 23734545
1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea
CID 7304408
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-N,N-dimethylpyridine-2-carboxamide
CID 75507305
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 108876025
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea (CID 9350005) is 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is SKMWRSFIXKTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-14-6-5-12(9-15(14)18)19-16(21)20-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,19,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea has a molecular weight of 321.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea is sourced from PubChem (CID 9350005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).