3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea

C14H21ClN2O2 — CID 6467940

IUPAC3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-8-17(9-5-2)14(18)16-12-10-11(15)6-7-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyODQNMHWQEDIITJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.00
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea

3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea (PubChem CID 6467940) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea
PubChem CID6467940
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-8-17(9-5-2)14(18)16-12-10-11(15)6-7-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyODQNMHWQEDIITJ-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea (CID 6467940) is 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea?
The InChIKey is ODQNMHWQEDIITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-8-17(9-5-2)14(18)16-12-10-11(15)6-7-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea?
3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea has a molecular weight of 284.79 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1,1-dipropylurea is sourced from PubChem (CID 6467940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).