1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea

C19H22Cl2N2O3 — CID 60600676

IUPAC1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
SMILESCCOCCOc1c(Cl)cccc1NC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O3/c1-3-25-11-12-26-18-16(21)5-4-6-17(18)23-19(24)22-13(2)14-7-9-15(20)10-8-14/h4-10,13H,3,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyHRDODQCZSYYUJF-UHFFFAOYSA-N
MW397.30 g/mol
LogP5.29
Rot. Bonds8

About 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea

1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea (PubChem CID 60600676) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
PubChem CID60600676
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
SMILESCCOCCOc1c(Cl)cccc1NC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O3/c1-3-25-11-12-26-18-16(21)5-4-6-17(18)23-19(24)22-13(2)14-7-9-15(20)10-8-14/h4-10,13H,3,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyHRDODQCZSYYUJF-UHFFFAOYSA-N
XLogP5.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
4-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078222
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60594908
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60600233
1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
CID 17174463
1-(3-chloro-2-ethoxyphenyl)-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125169465
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119747231

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea (CID 60600676) is 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea is CCOCCOc1c(Cl)cccc1NC(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea?
The InChIKey is HRDODQCZSYYUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-3-25-11-12-26-18-16(21)5-4-6-17(18)23-19(24)22-13(2)14-7-9-15(20)10-8-14/h4-10,13H,3,11-12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea?
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea has a molecular weight of 397.30 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 60600676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).