1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea

C28H22N4O2 — CID 177491059

IUPAC1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1ccccc1NC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C28H22N4O2/c33-27(29-23-17-7-11-19-9-1-3-13-21(19)23)31-25-15-5-6-16-26(25)32-28(34)30-24-18-8-12-20-10-2-4-14-22(20)24/h1-18H,(H2,29,31,33)(H2,30,32,34)
InChIKeyGXRISPHIZRPVLW-UHFFFAOYSA-N
MW446.51 g/mol
LogP7.28
Rot. Bonds4

About 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea (PubChem CID 177491059) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
PubChem CID177491059
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1ccccc1NC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C28H22N4O2/c33-27(29-23-17-7-11-19-9-1-3-13-21(19)23)31-25-15-5-6-16-26(25)32-28(34)30-24-18-8-12-20-10-2-4-14-22(20)24/h1-18H,(H2,29,31,33)(H2,30,32,34)
InChIKeyGXRISPHIZRPVLW-UHFFFAOYSA-N
XLogP7.28
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 57.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
naphthalen-1-ylurea;hydrochloride
CID 141142203
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-tritylurea
CID 4029941
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
CID 134347050
chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid
CID 91621928

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea (CID 177491059) is 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea is O=C(Nc1ccccc1NC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
The InChIKey is GXRISPHIZRPVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c33-27(29-23-17-7-11-19-9-1-3-13-21(19)23)31-25-15-5-6-16-26(25)32-28(34)30-24-18-8-12-20-10-2-4-14-22(20)24/h1-18H,(H2,29,31,33)(H2,30,32,34).
What are the key properties of 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea has a molecular weight of 446.51 g/mol, XLogP of 7.28, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 177491059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).