1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

C17H12Cl2N2O2 — CID 54581582

IUPAC1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H12Cl2N2O2/c18-14-7-5-11(8-15(14)19)20-17(23)21-16-3-1-2-10-4-6-12(22)9-13(10)16/h1-9,22H,(H2,20,21,23)
InChIKeyHYPVVYCUIRGGJB-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.50
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 54581582) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID54581582
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H12Cl2N2O2/c18-14-7-5-11(8-15(14)19)20-17(23)21-16-3-1-2-10-4-6-12(22)9-13(10)16/h1-9,22H,(H2,20,21,23)
InChIKeyHYPVVYCUIRGGJB-UHFFFAOYSA-N
XLogP5.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(7-hydroxynaphthalen-1-yl)-3-(4-phenoxyphenyl)urea
CID 10133734
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
CID 5330590
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (CID 54581582) is 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is HYPVVYCUIRGGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-14-7-5-11(8-15(14)19)20-17(23)21-16-3-1-2-10-4-6-12(22)9-13(10)16/h1-9,22H,(H2,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 347.20 g/mol, XLogP of 5.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 54581582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).