3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea

C15H23ClN2O3 — CID 56821996

IUPAC3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
SMILESCCOCCOc1c(Cl)cccc1NC(=O)N(CC)CC
InChIInChI=1S/C15H23ClN2O3/c1-4-18(5-2)15(19)17-13-9-7-8-12(16)14(13)21-11-10-20-6-3/h7-9H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyMQRFAGNJDVYZTJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.63
Rot. Bonds8

About 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea

3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea (PubChem CID 56821996) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
PubChem CID56821996
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
SMILESCCOCCOc1c(Cl)cccc1NC(=O)N(CC)CC
InChIInChI=1S/C15H23ClN2O3/c1-4-18(5-2)15(19)17-13-9-7-8-12(16)14(13)21-11-10-20-6-3/h7-9H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyMQRFAGNJDVYZTJ-UHFFFAOYSA-N
XLogP3.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 60600491
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
CID 60600676
4-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078222
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119747231
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
CID 150580379
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86863747
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60600233

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea?
The IUPAC name of 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea (CID 56821996) is 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea?
The canonical SMILES for 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea is CCOCCOc1c(Cl)cccc1NC(=O)N(CC)CC.
What is the InChIKey of 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea?
The InChIKey is MQRFAGNJDVYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-18(5-2)15(19)17-13-9-7-8-12(16)14(13)21-11-10-20-6-3/h7-9H,4-6,10-11H2,1-3H3,(H,17,19).
What are the key properties of 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea?
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea has a molecular weight of 314.81 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea is sourced from PubChem (CID 56821996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).