1-(2-methylphenyl)-3-naphthalen-1-ylurea

C18H16N2O — CID 2189793

IUPAC1-(2-methylphenyl)-3-naphthalen-1-ylurea
SMILESCc1ccccc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2O/c1-13-7-2-5-11-16(13)19-18(21)20-17-12-6-9-14-8-3-4-10-15(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKeyXVNVNRUGPYHNSW-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.79
Rot. Bonds2

About 1-(2-methylphenyl)-3-naphthalen-1-ylurea

1-(2-methylphenyl)-3-naphthalen-1-ylurea (PubChem CID 2189793) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-naphthalen-1-ylurea
PubChem CID2189793
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(2-methylphenyl)-3-naphthalen-1-ylurea
SMILESCc1ccccc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2O/c1-13-7-2-5-11-16(13)19-18(21)20-17-12-6-9-14-8-3-4-10-15(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKeyXVNVNRUGPYHNSW-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
Alpha-Naphthylthiourea
CID 736366
Aptiganel Hydrochloride
CID 60839
Daimuron
CID 39238
Atglistatin
CID 71699712
1-Benzyl-3-(1-naphthyl)urea
CID 668231
Aptiganel
CID 60840
Acetamide, N-1-naphthalenyl-
CID 68461
Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
1-(Naphthalen-2-yl)-3-phenylurea
CID 239526
1-Naphthylurea
CID 81387
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(2-methylphenyl)-3-naphthalen-1-ylurea (CID 2189793) is 1-(2-methylphenyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(2-methylphenyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(2-methylphenyl)-3-naphthalen-1-ylurea is Cc1ccccc1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(2-methylphenyl)-3-naphthalen-1-ylurea?
The InChIKey is XVNVNRUGPYHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-7-2-5-11-16(13)19-18(21)20-17-12-6-9-14-8-3-4-10-15(14)17/h2-12H,1H3,(H2,19,20,21).
What are the key properties of 1-(2-methylphenyl)-3-naphthalen-1-ylurea?
1-(2-methylphenyl)-3-naphthalen-1-ylurea has a molecular weight of 276.34 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 2189793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).