1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea

C17H19ClN2O2 — CID 17283504

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16-9-4-3-8-15(16)20-17(21)19-11-10-13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21)
InChIKeySYCGGIRVEDFCFA-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea

1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea (PubChem CID 17283504) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
PubChem CID17283504
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16-9-4-3-8-15(16)20-17(21)19-11-10-13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21)
InChIKeySYCGGIRVEDFCFA-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108901388
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea (CID 17283504) is 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is SYCGGIRVEDFCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-22-16-9-4-3-8-15(16)20-17(21)19-11-10-13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 318.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 17283504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).