1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea

C20H19ClN2O2 — CID 108883534

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
SMILESO=C(NCCCOc1ccccc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C20H19ClN2O2/c21-17-10-3-4-12-19(17)25-14-6-13-22-20(24)23-18-11-5-8-15-7-1-2-9-16(15)18/h1-5,7-12H,6,13-14H2,(H2,22,23,24)
InChIKeyMJULKDQMRMQAAV-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.08
Rot. Bonds6

About 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea

1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea (PubChem CID 108883534) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
PubChem CID108883534
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
SMILESO=C(NCCCOc1ccccc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C20H19ClN2O2/c21-17-10-3-4-12-19(17)25-14-6-13-22-20(24)23-18-11-5-8-15-7-1-2-9-16(15)18/h1-5,7-12H,6,13-14H2,(H2,22,23,24)
InChIKeyMJULKDQMRMQAAV-UHFFFAOYSA-N
XLogP5.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.08
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-(2-ethoxyphenyl)urea
CID 108883575
1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108883342
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
butyl 2-[3-(2-chlorophenoxy)propylcarbamoylamino]benzoate
CID 108883426
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-naphthalen-1-yl-3-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]urea
CID 4919473
1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
CID 52666869
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-[3-(2-chlorophenoxy)propyl]-3-(2-cyanoethyl)urea
CID 108883678

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea (CID 108883534) is 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea is O=C(NCCCOc1ccccc1Cl)Nc1cccc2ccccc12.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea?
The InChIKey is MJULKDQMRMQAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-10-3-4-12-19(17)25-14-6-13-22-20(24)23-18-11-5-8-15-7-1-2-9-16(15)18/h1-5,7-12H,6,13-14H2,(H2,22,23,24).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea?
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea has a molecular weight of 354.84 g/mol, XLogP of 5.08, 6 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-naphthalen-1-ylurea is sourced from PubChem (CID 108883534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).