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

C18H16N2O2 — CID 54581579

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16N2O2/c1-12-4-2-6-14(10-12)19-18(22)20-17-7-3-5-13-8-9-15(21)11-16(13)17/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyJCBUZWRPLCATEB-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.50
Rot. Bonds2

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

1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea (PubChem CID 54581579) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
PubChem CID54581579
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16N2O2/c1-12-4-2-6-14(10-12)19-18(22)20-17-7-3-5-13-8-9-15(21)11-16(13)17/h2-11,21H,1H3,(H2,19,20,22)
InChIKeyJCBUZWRPLCATEB-UHFFFAOYSA-N
XLogP4.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.50
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-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
1-(7-hydroxynaphthalen-1-yl)-3-(4-phenoxyphenyl)urea
CID 10133734
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
2-amino-N-(7-hydroxynaphthalen-1-yl)propanamide
CID 18475864
3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide
CID 91416891
propyl N-(7-hydroxynaphthalen-1-yl)carbamate
CID 19768158
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
CID 5330590

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea (CID 54581579) is 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea?
The InChIKey is JCBUZWRPLCATEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-4-2-6-14(10-12)19-18(22)20-17-7-3-5-13-8-9-15(21)11-16(13)17/h2-11,21H,1H3,(H2,19,20,22).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea?
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea has a molecular weight of 292.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 54581579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).