1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea

C28H22N4O2 — CID 23966866

IUPAC1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1ccc(NC(=O)Nc2cccc3ccccc23)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C28H22N4O2/c33-27(31-25-13-5-9-19-7-1-3-11-23(19)25)29-21-15-17-22(18-16-21)30-28(34)32-26-14-6-10-20-8-2-4-12-24(20)26/h1-18H,(H2,29,31,33)(H2,30,32,34)
InChIKeyJYVCBQUZBFCKID-UHFFFAOYSA-N
MW446.51 g/mol
LogP7.28
Rot. Bonds4

About 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea (PubChem CID 23966866) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
PubChem CID23966866
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1ccc(NC(=O)Nc2cccc3ccccc23)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C28H22N4O2/c33-27(31-25-13-5-9-19-7-1-3-11-23(19)25)29-21-15-17-22(18-16-21)30-28(34)32-26-14-6-10-20-8-2-4-12-24(20)26/h1-18H,(H2,29,31,33)(H2,30,32,34)
InChIKeyJYVCBQUZBFCKID-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

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene
CID 58200224
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69011660
N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712560
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
CID 1056346
1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea
CID 91185523
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea (CID 23966866) is 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea is O=C(Nc1ccc(NC(=O)Nc2cccc3ccccc23)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
The InChIKey is JYVCBQUZBFCKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c33-27(31-25-13-5-9-19-7-1-3-11-23(19)25)29-21-15-17-22(18-16-21)30-28(34)32-26-14-6-10-20-8-2-4-12-24(20)26/h1-18H,(H2,29,31,33)(H2,30,32,34).
What are the key properties of 1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea?
1-naphthalen-1-yl-3-[4-(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-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 23966866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).