1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

C17H13ClN2O2 — CID 54581578

IUPAC1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H13ClN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
InChIKeyUKSPICJTNWQCOC-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.84
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 54581578) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID54581578
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H13ClN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
InChIKeyUKSPICJTNWQCOC-UHFFFAOYSA-N
XLogP4.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (CID 54581578) is 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is UKSPICJTNWQCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22).
What are the key properties of 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 312.76 g/mol, XLogP of 4.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 54581578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).