1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea

C21H25ClN2O — CID 108901376

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25ClN2O/c1-15(18-10-9-17-6-2-3-7-19(17)14-18)24-21(25)23-12-11-16-5-4-8-20(22)13-16/h4-5,8-10,13-15H,2-3,6-7,11-12H2,1H3,(H2,23,24,25)
InChIKeyAQGQWIHUBKFXLH-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.82
Rot. Bonds5

About 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea (PubChem CID 108901376) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
PubChem CID108901376
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25ClN2O/c1-15(18-10-9-17-6-2-3-7-19(17)14-18)24-21(25)23-12-11-16-5-4-8-20(22)13-16/h4-5,8-10,13-15H,2-3,6-7,11-12H2,1H3,(H2,23,24,25)
InChIKeyAQGQWIHUBKFXLH-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108900234
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110892252
1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112995856
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
1-[3-(benzenesulfonyl)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 60592691
1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
CID 133188939
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110893540
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea (CID 108901376) is 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea is CC(NC(=O)NCCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
The InChIKey is AQGQWIHUBKFXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15(18-10-9-17-6-2-3-7-19(17)14-18)24-21(25)23-12-11-16-5-4-8-20(22)13-16/h4-5,8-10,13-15H,2-3,6-7,11-12H2,1H3,(H2,23,24,25).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea has a molecular weight of 356.90 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea is sourced from PubChem (CID 108901376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).