1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea

C17H18Cl2N2O2 — CID 108883382

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
SMILESO=C(NCCCOc1ccccc1Cl)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c18-14-8-6-13(7-9-14)12-21-17(22)20-10-3-11-23-16-5-2-1-4-15(16)19/h1-2,4-9H,3,10-12H2,(H2,20,21,22)
InChIKeyQFIVEBHWYWNSRP-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.26
Rot. Bonds7

About 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea

1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea (PubChem CID 108883382) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
PubChem CID108883382
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
SMILESO=C(NCCCOc1ccccc1Cl)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c18-14-8-6-13(7-9-14)12-21-17(22)20-10-3-11-23-16-5-2-1-4-15(16)19/h1-2,4-9H,3,10-12H2,(H2,20,21,22)
InChIKeyQFIVEBHWYWNSRP-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chlorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 108883450
1-[[3-(aminomethyl)phenyl]methyl]-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883455
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[2-(2-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970590
1-[3-(2-chlorophenoxy)propyl]-3-(2-cyanoethyl)urea
CID 108883678
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[(4-fluorophenyl)methyl]urea
CID 108882522
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea (CID 108883382) is 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea is O=C(NCCCOc1ccccc1Cl)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea?
The InChIKey is QFIVEBHWYWNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c18-14-8-6-13(7-9-14)12-21-17(22)20-10-3-11-23-16-5-2-1-4-15(16)19/h1-2,4-9H,3,10-12H2,(H2,20,21,22).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea?
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea has a molecular weight of 353.25 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 108883382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).